Our goal is to deliver quality screening libraries containing diverse and/or targeted and biased compounds with leadlike and druglike properties to help our clients generate hits and chemical probes for their therapeutic discovery, chemical biology, and agrochemical programs. ChemBridge relies on publications in peer-reviewed journals as one measure of our clients’ success, and since 1999 our products have been cited as part of many successful research programs in both academic and industrial laboratories.

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2010 Publications +/-

Chuprina, A.; Lukin, O.; Demoiseaux, R.; Buzko, A.; Shivanyuk, A.; Drug- and Lead-likeness, Target Class, and Molecular Diversity Analysis of 7.9 Million Commercially Available Organic Compounds Provided by 29 Suppliers. J. Chem. Inf. Model. 2010.

Wolf, M. C.; Freiberg, A. N.; Zhang, T.; Akyol-Ataman, Z.; Grock, A.; Hong, P. W.; Li, J.; Watson, N. F.; Fang, A. Q.; Aguilar, H. C.; Porotto, M.; Honko, A. N.; Damoiseaux, R.; Miller, J. P.; Woodson, S. E.; Chantasirivisal, S.; Fontanes, V.; Negrete, O. A.; Krogstad, P.; Dasgupta, A.; Moscona, A.; Hensley, L. E.; Whelan, S. P.; Faull, K. F.; Holbrook, M. R.; Jung, M. E.; Lee, B.; A broad-spectrum antiviral targeting entry of enveloped viruses. PNAS. 2010.

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2009 Publications +/-

	Béaslas, O.; Cueille, C.; Delers, F.; Chateau, D.; Chambaz, J.; Rousset, M.; Carrière, V.; Sensing of dietary lipids by enterocytes: a new role for SR-BI/CLA-1. PLoS One. 2009, 4 (1), e4278.
	Bettiol, E.; Samanovic, M.; Murkin, A. S.; Raper, J.; Buckner, F.; Rodriguez, A.; Identification of Three Classes of Heteroaromatic Compounds with Activity against Intracellular Trypanosoma cruzi by Chemical Library Screening. PLoS Negl. Trop. Dis. 2009, 3 (2), e384.
	Claassen, G.; Brin, E.; Crogan-Grundy, C.; Vaillancourt, M. T.; Zhang, H. Z.; Cai, S. X.; Drewe, J.; Tseng, B.; Kasibhatla, S.; Selective activation of apoptosis by a novel set of 4-aryl-3-(3-aryl-1-oxo-2-propenyl)-2(1H)-quinolinones through a Myc-dependent pathway. Cancer Lett. 2009, 274 (2), 243-249.
	Song, G.; Chen, C.; Ren, J.; Qu, X.; A Simple, Universal Colorimetric Assay for Endonuclease/Methyltransferase Activity and Inhibition Based on an Enzyme-Responsive Nanoparticle System. ACS Nano. 2009, 3 (5), 1183-1189.
	Jones, J. O.; An, W. F.; Diamond, M. I.; AR Inhibitors Identified by High-Throughput Microscopy Detection of Conformational Change and Subcellular Localization. ACS Chem. Biol. 2009, 4 (3), 199-208.
	Perez-Pineiro, R.; Burgos, A.; Jones, D. C.; Andrew, L. C.; Rodriguez, H.; Suarez, M.; Fairlamb, A. H.; Wishart, D. S.; Development of a Novel Virtual Screening Cascade Protocol to Identify Potential Trypanothione Reductase Inhibitors. J. Med. Chem. 2009, 52 (6), 1670-1680.
	Mustata, G.; Follis, A. V.; Hammoudeh, D. I.; Metallo, S. J.; Wang, H.; Prochownik, E. V.; Lazo, J. S.; Bahar, I.; Discovery of Novel Myc-Max Heterodimer Disruptors with a Three-Dimensional Pharmacophore Model. J. Med. Chem. 2009, 52 (5), 1247-1250.
	van der Horst, E.; Okuno, Y.; Bender, A.; Ijzerman, A. P.; Substructure Mining of GPCR Ligands Reveals Activity-Class Specific Functional Groups in an Unbiased Manner. J. Chem. Inf. Model. 2009, 49 (2), 348-360.
	Jensen, A. A.; Erichsen, M. N.; Nielsen, C. W.; Stensbøl, T. B.; Kehler, J.; Bunch, L.; Discovery of the First Selective Inhibitor of Excitatory Amino Acid Transporter Subtype 1. J. Med. Chem. 2009, 52 (4), 912-915.
	Xia, Z.; Knaak, C.; Ma, J.; Beharry, Z. M.; McInnes, C.; Wang, W.; Kraft, A. S.; Smith, C. D.; Synthesis and Evaluation of Novel Inhibitors of Pim-1 and Pim-2 Protein Kinases. J. Med. Chem. 2009, 52 (1), 74-86.
	Lauer-Fields, J. L.; Minond, D.; Chase, P. S.; Baillargeon, P. E.; Saldanha, S. A.; Stawikowska, R.; Hodder, P.; Fields, G. B.; High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate. Bioorg. Med. Chem. 2009, 17 (3), 990-1005.
	Shelat, A. A.; Guy, R. K.; A road less traveled by: Exploring a decade of Ellman chemistry. Bioorg. Med. Chem. 2009, 17 (3), 1088-1093.
	Dreux, M.; Dao Thi, V. L.; Fresquet, J.; Guérin, M.; Julia, Z.; Verney, G.; Durantel, D.; Zoulim, F.; Lavillette, D.; Cosset, F. L.; Bartosch, B.; Receptor complementation and mutagenesis reveal SR-BI as an essential HCV entry factor and functionally imply its intra- and extra-cellular domains. PLoS Pathog. 2009, 5 (2), e1000310.
	Busby, W. H. Jr.; Yocum, S. A.; Rowland, M.; Kellner, D.; Lazerwith, S.; Sverdrup, F.; Yates, M.; Radabaugh, M.; Clemmons, D. R.; Complement 1s is the serine protease that cleaves IGFBP-5 in human osteoarthritic joint fluid. Osteoarthritis Cartilage. 2009, 17 (4), 547-555.
	Bujold, K.; Rhainds, D.; Jossart, C.; Febbraio, M.; Marleau, S.; Ong, H.; Expand+CD36-mediated cholesterol efflux is associated with PPARγ activation via a MAPK-dependent COX-2 pathway in macrophages. Cardiovasc. Res. 2009, 83 (3), 457-464.
	Lefas, G.; Chaconas, G.; High-Throughput Screening Identifies Three Inhibitor Classes of the Telomere Resolvase from the Lyme Disease Spirochete. Antimicrob. Agents and Chemotherap. 2009, 53 (10), 4441-4449.
	Burkhart, C. A.; Watt, F.; Murray, J.; Pajic, M.; Prokvolit, A.; Xue, C.; Flemming, C.; Smith, J.; Purmal, A.; Isachenko, N.; Komarov, P. G.; Gurova, K. V.; Sartorelli, A. C.; Marshall, G. M.; Norris, M. D.; Gudkov, A. V.; Haber, M.; Small-Molecule Multidrug Resistance-Associated Protein 1 Inhibitor Reversan Increases the Therapeutic Index of Chemotherapy in Mouse Models of Neuroblastoma. Cancer Res. 2009, 69 (16), 6573-6580.
	Komiyama, T.; Coppola, J. M.; Larsen, M. J.; van Dort, M. E.; Ross, B. D.; Day, R.; Rehemtulla, A.; Fuller, R. S.; Inhibition of Furin/Proprotein Convertase-catalyzed Surface and Intracellular Processing by Small Molecules. J. Biomol. Chem. 2009, 284, 15729-15738.
	Barysch, S. V.; Aggarwal, S.; Jahn, R.; Rizzoli, S. O.; Sorting in early endosomes reveals connections to docking- and fusion-associated factors. PNAS. 2009, 106 (24), 9697-9702.
	Wei, H.; Hämäläinen, M. M.; Saarnilehto, M.; Koivisto, A.; Pertovaara, A.; Attenuation of mechanical hypersensitivity by an antagonist of the TRPA1 ion channel in diabetic animals. Anesthesiology. 2009, 111 (1), 147-154.
	Zaragoza-Sundqvist, M.; Eriksson, H.; Rohman, M.; Greasley, P. J.; High-Quality Cost-Effective Compound Management Support for HTS. J. Biomol. Screen. 2009, 14 (5), 509-514.
	Xu, D.; Sillaots, S.; Davison, J.; Hu, W.; Jiang, B.; Kauffman, S.; Martel, N.; Ocampo, P.; Oh, C.; Trosok, S.; Veillette, K.; Wang, H.; Yang, M.; Zhang, L.; Becker, J.; Martin, C. E.; Roemer, T.; Chemical genetic profiling and characterization of small-molecule compounds that affect the biosynthesis of unsaturated fatty acids in Candida albicans. J. Biol. Chem. 2009, 284 (29), 19754-19764.
	BeHarry, Z.; Zemskova, M.; Mahajan, S.; Zhang, F.; Ma, J.; Xia, Z.; Lilly, M.; Smith, C. D.; Kraft, A. S.; Novel benzylidene-thiazolidine-2,4-diones inhibit Pim protein kinase activity and induce cell cycle arrest in leukemia and prostate cancer cells . Mol. Cancer Ther. 2009, 8, 1473.
	Roxas-Duncan, V.; Enyedy, I.; Montgomery, V. A.; Eccard, V. S.; Carrington, M. A.; Lai, H.; Gul, N.; Yang, D. C. H.; Smith, L. A.; Identification and Biochemical Characterization of Small-Molecule Inhibitors of Clostridium botulinum Neurotoxin Serotype A. Antimicrob. Agents and Chemotherap. 2009, 53 (8), 3478-3486.
	Sperandio, O.; Petitjean, M.; Tuffery, P.; wwLigCSRre: a 3D ligand-based server for hit identification and optimization. Nucleic Acids Res. 2009, 37, W504-W509.
	Steele, A. J.; Prentice, A. G.; Hoffbrand, A. V.; Yogashangary, B. C.; Hart, S. M.; Lowdell, M. W.; Samuel, E. R.; North, J. M.; Nacheva, E. P.; Chanalaris, A.; Kottaridis, P.; Cwynarski, K.; Wickremasinghe, R. G.; 2-phenylacetylenesulfonamide (PAS) induces p53-independent apoptotic killing of B-chronic lymphocytic leukemia (CLL) cells. Blood. 2009, 114 (6), 1217-1225.
	Chung, C.; Sheu, J.; Liu, H.; Chang, S.; Chou, Y.; Chen, W.; Chou, D.; Hsiao, G.; Dynasore, a Dynamin Inhibitor, Induces PAI-1 Expression in MeT-5A Human Pleural Mesothelial Cells. Am. J. Respir. Cell Mol. Biol. 2009, 40, 692-700.
	Lu, W.; Greenwood, J. D.; Maddox, C.; Reddy, L.; McKellip, S.; Wang, T.; Rasmussen, L.; White, E. L.; Wennerberg, K.; Li, Y.; High Throughput Screening for WNT/Beta-Catenin Signaling Inhibitors. Annals of Oncol. 2009, 20 (suppl. 3), O29.
	Call, M. J.; Xing, X.; Cuny, G. D.; Seth, N. P.; Altmann, D. M.; Fugger, L.; Krogsgaard, M.; Stein, R. L.; Wucherpfennig, K. W.; In Vivo Enhancement of Peptide Display by MHC Class II Molecules with Small Molecule Catalysts of Peptide Exchange. J. Imuunol. 2009, 182, 6342-6352.
	Nakai, R.; Iida, S.; Takahashi, T.; Tsujita, T.; Okamoto, S.; Takada, C.; Akasaka, K.; Ichikawa, S.; Ishida, H.; Kusaka, H.; Akinaga, S.; Murakata, C.; Honda, S.; Nitta, M.; Saya, H.; Yamashita, Y.; K858, a Novel Inhibitor of Mitotic Kinesin Eg5 and Antitumor Agent, Induces Cell Death in Cancer Cells. Cancer Res. 2009, 69 (9), 3901-3909.
	Knoth, C.; Salus, M. S.; Girke, T.; Eulgem, T.; The synthetic elicitor 3,5-Dichloroanthranillic acid (DCA) induces NPR1-dependent and NPR1-independent mechanisms of disease resistance in Arabidopsis thaliana. Plant Physiol. 2009, 150, 333-347.
	King, J. B.; West, M. B.; Cook, P. F.; Hanigan, M. H.; A Novel, Species-specific Class of Uncompetitive Inhibitors of γ-Glutamyl Transpeptidase. J. Biol. Chem. 2009, 284, 9059-9065.
	Hoeller, C.; Richardson, S. K.; Ng, L. G.; Valero, T.; Wysocka, M.; Rook, A. H.; Weninger, W.; In vivo Imaging of Cutaneous T-Cell Lymphoma Migration to the Skin. Cancer Res. 2009, 69 (7), 2704-2708.
	Kitambi, S. S.; McCulloch, K. J.; Peterson, R. T.; Malicki, J. J.; Small molecule screen for compounds that affect vascular development in the zebrafish retina. Mech. Dev. 2009, 126 (5-6), 464-477.
	Xu, X.; Kasembeli, M. M.; Jiang, X.; Tweardy, B. J.; Tweardy, D. J.; Chemical Probes that Competitively and Selectively Inhibit Stat3 Activation. PLoS One. 2009, 4 (3), e4783.
	Garner, K. M.; Pletnev, A. A.; Eastman, A.; Corrected structure of mirin, a small-molecule inhibitor of the Mre11-Rad50-Nbs1 complex. Nature Chem. Biol. 2009, 5, 129-130.
	Kim, I.; Shu, C. W.; Xu, W.; Shiau, C. W.; Grant, D.; Vasile, S.; Cosford, N. D.; Reed, J. C.; Chemical biology investigation of cell death pathways activated by endoplasmic reticulum stress reveals cytoprotective modulators of ASK1. J. Biol. Chem. 2009, 284 (3), 1593-1603.
	Wang, Q.; Mora-Jensen, H.; Weniger, M. A.; Perez-Galan, P.; Wolford, C.; Hai, T.; Ron, D.; Chen, W.; Trenkle, W.; Wiestner, A.; Ye, Y. ERAD inhibitors integrate ER stress with an epigenetic mechanism to activate BH3-only protein NOXA in cancer cells. PNAS. 2009, 106 (7), 2200-2205.
	Guo, W.; Wu, S.; Wang, L.; Wang, R. Y.; Wei, X.; Liu, J.; Fang, B.; Interruption of RNA processing machinery by a small compound, 1-[(4-chlorophenyl)methyl]-1H-indole-3-carboxaldehyde (oncrasin-1). Mol. Cancer Ther. 2009, 8 (2), 441-448.
	Malyukova, I.; Murray, K. F.; Zhu, C.; Boedeker, E.; Kane, A.; Patterson, K.; Peterson, J. R.; Donowitz, M.; Kovbasnjuk, O.; Macropinocytosis in Shiga toxin 1 uptake by human intestinal epithelial cells and transcellular transcytosis. Am. J. Physiol. Gastrointest. Liver Physiol. 2009, 296, G78-G92.
	Prantner, D.; Nagarajan, U. M.; Role for the Chlamydial Type III Secretion Apparatus in Host Cytokine Expression. Infect. and Immun. 2009, 77 (1), 76-84.
	Heinke, R.; Spannhoff, A.; Meier, R.; Trojer, P.; Bauer, I.; Jung, M.; Sippl, W.; Virtual screening and biological characterization of novel histone arginine methyltransferase PRMT1 inhibitors. ChemMedChem. 2009, 4 (1), 69-77.
	Marlo, J. E.; Niswender, C. M.; Days, E. L.; Bridges, T. M.; Xiang, Y.; Rodriguez, A. L.; Shirey, J. K.; Brady, A. E.; Nalywajko, T.; Luo, Q.; Austin, C. A.; Williams, M. B.; Kim, K.; Williams, R.; Orton, D.; Brown, H. A.; Lindsley, C. W.; Weaver, C. D.; Conn, P. J.; Discovery and characterization of novel allosteric potentiators of M1 muscarinic receptors reveals multiple modes of activity. Mol. Pharmacol. 2009, 75 (3), 577-588.
	Hu, W.; Hofstetter, W.; Wei, X.; Guo, W.; Zhou, Y.; Pataer, A.; Li, H.; Fang, B.; Swisher, S. G.; Double-Stranded RNA-Dependent Protein Kinase-Dependent Apoptosis Induction by a Novel Small Compound. J. Pharmacol. Exp. Therap. 2009, 328 (3), 866-872.
	Pan, N. J.; Brady, M. J.; Leong, J. M.; Goguen, J. D.; Targeting Type III Secretion in Yersinia pestis. Antimicrob. Agents and Chemoterap. 2009, 53 (2), 385-392.
	Yu, S.; Gao, G.; Peterson, B. Z.; Ouyang, A.; TRPA1 in mast cell activation-induced long-lasting mechanical hypersensitivity of vagal afferent C-fibers in guinea pig esophagus. Am. J. Physiol. Gastrointest. Liver Physiol. 2009, 297 (1), G34-G42.
	Jennings, B. C.; Nadolski, M. J.; Ling, Y.; Baker, M. B.; Harrison, M. L.; Deschenes, R. J.; Linder, M. E.; 2-Bromopalmitate and 2-(2-hydroxy-5-nitro-benzylidene)-benzo[b]thiophen-3-one inhibit DHHC-mediated palmitoylation in vitro. J. Lipid Res. 2009, 50, 233-242.
	Bulat, N.; Waeber, G.; Widmann, C.; LDLs stimulate p38 mitogen-activated kinases and wound healing through the class B type 1 scavenger receptor independently of Ras and PI3 kinase . J. Lipid Res. 2009, 50, 81-89.
	Williams, J. R.; Khandoga, A. L.; Goyal, P.; Fells, J. I.; Perygin, D. H.; Siess, W.; Parrill, A. L.; Tigyi, G.; Fujiwara, Y.; Unique Ligand Selectivity of the GPR92/LPA5 Lysophosphatidate Receptor Indicates Role in Human Platelet Activation. J. Biol. Chem. 2009, 284, 17304-17319.

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2008 Publications +/-

	Severson, W. E.; McDowell, M.; Ananthan, S.; Chung, D. H.; Rasmussen, L.; Sosa, M. I.; White, E. L.; Noah, J.; Jonsson, C. B.; High-throughput screening of a 100,000-compound library for inhibitors of influenza A virus (H3N2). J. Biomol. Screen. 2008, 13 (9), 879-887.
	Anderson, G. J.; Darshan, D.; Small-molecule dissection of BMP signaling. Nat. Chem. Biol. 2008, 4 (1), 15-16.
	Chenna, B. C.; Shinkre, B. A.; King, J. R.; Lucius, A. L.; Narayana, S. V. L.; Velu, S. E.; Identification of novel inhibitors of bacterial surface enzyme Staphylococcus aureus Sortase A. Bioorg. Med. Chem. Lett. 2008, 18 (1), 380-385.
	Zhu, L.; Vimolratana, M.; Brown, S. P.; Medina, J. C.; A mild preparation of substituted indolizines and indole from simple aromatic precursors using (trimethylsilyl)diazomethane. Tetrahedron Lett. 2008, 49 (11), 1768-1770.
	Owens, K. N.; Santos, F.; Roberts, B.; Linbo, T..; Coffin, A. B.; Knisely, A. J.; Simon, J. A.; Rubel, E. W.; Raible, D. W.; Identification of Genetic and Chemical Modulators of Zebrafish Mechanosensory Hair Cell Death. PLoS Genet. 2008, 4 (2), e1000020.
	Sperandio, O.; Miteva, M. A.; Segers, K.; Nicolaes, G. A. F..; Villoutreix, B. O.; Screening Outside the Catalytic Site: Inhibition of Macromolecular Inter-actions Through Structure-Based Virtual Ligand Screening Experiments. Open Biochem. J. 2008, 2, 29-37.
	Nordqvist, A.; Nilsson, M. T.; Röttger, S.; Odell, L. R.; Krajewski, W. W.; Evalena Andersson, C.; Larhed, M.; Mowbray, S. L.; Karlén, A.; Evaluation of the amino acid binding site of Mycobacterium tuberculosis glutamine synthetase for drug discovery. Bioorg. Med. Chem. 2008, 16 (10), 5501-5513.
	Leone, S.; Mutti, C.; Kazantsev, A.; Sturlese, M.; Moro, S.; Cattaneo, E.; Rigamonti, D.; Contini, A.; SAR and QSAR study on 2-aminothiazole derivatives, modulators of transcriptional repression in Huntington's disease. Bioorg. Med. Chem. 2008, 16 (10), 5695-5703.
	Li, R.; Morris, S. W.; Development of anaplastic lymphoma kinase (ALK) small-molecule inhibitors for cancer therapy. Med. Res. Rev. 2008, 28 (3), 372-412.
	Kwok, T. C. Y.; Hui, K.; Kostelecki, W.; Ricker, N.; Selman, G.; Feng, Z.; Roy, P. J.; A Genetic Screen for Dihydropyridine (DHP)-Resistant Worms Reveals New Residues Required for DHP-Blockage of Mammalian Calcium Channels. PLoS Genet. 2008, 4 (5), e1000067.
	Lu, I. L.; Tsai, K. C.; Chiang, Y. K.; Jiaang, W. T.; Wu, S. H.; Mahindroo, N.; Chien, C. H.; Lee, S. J.; Chen, X.; Chao, Y. S.; Wu, S. Y.; A three-dimensional pharmacophore model for dipeptidyl peptidase IV inhibitors. Eur. J. Med. Chem. 2008, 43 (8), 1603-1611.
	Harris, R. S.; Enhancing immunity to HIV through APOBEC. Nature Biotech. 2008, 26, 1089-1090.
	Wilson, J.; Huynh, C.; Kennedy, K. A.; Ward, D. M.; Kaplan, J.; Aderem, A.; Andrews, N. W.; Control of parasitophorous vacuole expansion by LYST/Beige restricts the intracellular growth of Leishmania amazonensis. PLoS Pathog. 2008, 4 (10), e1000179.
	Chen, F.; MacKerell, A. D.; Luo, Y.; Shapiro, P.; Using Caenorhabditis elegans as a model organism for evaluating extracellular signal-regulated kinase docking domain inhibitors. J. Cell. Commun. Signal. 2008, 2 (3-4), 81-92.
	Zimmer, M.; Ebert, B. L.; Neil, C.; Brenner, K.; Papaioannou, I.; Melas, A.; Tolliday, N.; Lamb, J.; Pantopoulos, K.; Golub, T.; Iliopoulos, O.; Small-molecule inhibitors of HIF-2a translation link its 5'UTR iron-responsive element to oxygen sensing. Mol. Cell. 2008, 32 (6), 838-848.
	Moir, D. T.; Di, M.; Moore, R. A.; Schweizer, H. P.; Woods, D. E.; Cellular reporter screens for inhibitors of Burkholderia pseudomallei targets in Pseudomonas aeruginosa. Trans. R. Soc. Trop. Med. Hyg. 2008, 102 Suppl 1, S152-S162.
	Spooner, R. A.; Watson, P.; Smith, D. C.; Boal, F.; Amessou, M.; Johannes, L.; Clarkson, G. J.; Lord, J. M.; Stephens, D. J.; Roberts, L. M.; The secretion inhibitor Exo2 perturbs trafficking of Shiga toxin between endosomes and the trans-Golgi network. Biochem. J. 2008, 414, 471-484.
	Ahn, K. C.; Zhao, B.; Chen, J.; Cherednichenko, G.; Sanmarti, E.; Denison, M. S.; Lasley, B.; Pessah, I. N.; Kültz, D.; Chang, D. P. Y.; Gee, S. J.; Hammock, B. D.; In Vitro Biologic Activities of the Antimicrobials Triclocarban, Its Analogs, and Triclosan in Bioassay Screens: Receptor-Based Bioassay Screens. Environ. Health Perspec. 2008, 116 (9), 1203-1210.
	Devaraj, N. K.; Weissleder, R.; Hilderbrand, S. A.; Tetrazine-Based Cycloadditions: Application to Pretargeted Live Cell Imaging. Bioconjugate Chem. 2008, 19 (12), 2297-2299.
	Yu, W. M.; Guvench, O.; Mackerell, A. D.; Qu, C. K.; Identification of small molecular weight inhibitors of Src homology 2 domain-containing tyrosine phosphatase 2 (SHP-2) via in silico database screening combined with experimental assay. J. Med. Chem. 2008, 51 (23), 7396-7404.
	Huang, J.; Zhang, Z.; Wu, B.; Cellitti, J. F.; Zhang, X.; Dahl, R.; Shiau, C.; Welsh, K.; Emdadi, A.; Stebbins, J. L.; Reed, J. C.; Pellecchia, M.; Fragment-Based Design of Small Molecule X-Linked Inhibitor of Apoptosis Protein Inhibitors. J. Med. Chem. 2008, 51 (22), 7111-7118.
	Neres, J.; Wilson, D. J.; Celia, L.; Beck, B. J.; Aldrich, C. C.; Aryl acid adenylating enzymes involved in siderophore biosynthesis: fluorescence polarization assay, ligand specificity, and discovery of non-nucleoside inhibitors via high-throughput screening. Biochem. 2008, 47 (45), 11735-11749.
	Maga, G.; Falchi, F.; Garbelli, A.; Belfiore, A.; Witvrouw, M.; Manetti, F.; Botta, M.; Pharmacophore modeling and molecular docking led to the discovery of inhibitors of human immunodeficiency virus-1 replication targeting the human cellular aspartic acid-glutamic acid-alanine-aspartic acid box polypeptide 3. J. Med. Chem. 2008, 51 (21), 6635-6638.
	Cho, Y.; Ioerger, T. R.; Sacchettini, J. C.; Discovery of novel nitrobenzothiazole inhibitors for Mycobacterium tuberculosis ATP phosphoribosyl transferase (HisG) through virtual screening. J. Med. Chem. 2008, 51 (19), 5984-5992.
	Adediran, S. A.; Pratt, R. F.; Inhibition of Serine β-Lactamases by Vanadate-Catechol Complexes. Biochem. 2008, 47 (36), 9467-9474.
	Barreto da Silva, V.; Kawano, D. F.; Gomes, A.; Carvalho, I.; Taft, C. A.; Tomich de Paula da Silva, C. H.; Molecular Dynamics, Density Functional, ADMET Predictions, Virtual Screening, and Molecular Interaction Field Studies for Identification and Evaluation of Novel Potential CDK2 Inhibitors In Cancer Therapy. J. Phys. Chem. A. 2008, 112 (38), 8902-8910.
	Markt, P.; McGoohan, C.; Walker, B.; Kirchmair, J.; Feldmann, C.; De Martino, G.; Spitzer, G.; Distinto, S.; Schuster, D.; Wolber, G.; Laggner, C.; Langer, T.; Discovery of Novel Cathepsin S Inhibitors by Pharmacophore-Based Virtual High-Throughput Screening. J. Chem. Inf. Model. 2008, 48 (8), 1693-1705.
	Zhong, S.; Chen, X.; Zhu, X.; Dziegielewska, B.; Bachman, K. E.; Ellenberger, T.; Ballin, J. D.; Wilson, G. M.; Tomkinson, A. E.; MacKerell, Jr., A. D.; Identification and Validation of Human DNA Ligase Inhibitors Using Computer-Aided Drug Design. J. Med. Chem. 2008, 51 (15), 4553-4562.
	Auld, D. S.; Thorne, N.; Nguyen, D.; Inglese, J.; A Specific Mechanism for Nonspecific Activation in Reporter-Gene Assays. ACS Chem. Biol. 2008, 3 (8), 463-470.
	Gagnidze, K.; Sachchidanand; Rozenfeld, R.; Mezei, M.; Zhou, M. M.; Devi, L. L.; Homology modeling and site-directed mutagenesis to identify selective inhibitors of endothelin-converting enzyme-2. J. Med. Chem. 2008, 51 (12), 3378-3387.
	Pei, J.; Dishinger, J. F.; Roman, D. L.; Rungwanitcha, C.; Neubig, R. R.; Kennedy, R. T.; Microfabricated channel array electrophoresis for characterization and screening of enzymes using RGS-G protein interactions as a model system. Anal. Chem. 2008, 80 (13), 5225-5231.
	Kiss, R.; Kiss, B.; Könczöl, A.; Szalai, F.; Jelinek, I.; László, V.; Noszál, B.; Falus, A.; Keseru, G. M.; Discovery of novel human histamine H4 receptor ligands by large-scale structure-based virtual screening. J. Med. Chem. 2008, 51 (11), 3145-3153.
	Goode, D. R.; Totten, R. K.; Heeres, J. T.; Hergenrother, P. J.; Identification of Promiscuous Small Molecule Activators in High-Throughput Enzyme Activation Screens. J. Med. Chem. 2008, 51 (8), 2346-2349.
	Engel, S.; Skoumbourdis, A. P.; Childress, J.; Neumann, S.; Deschamps, J. R.; Thomas, C. J.; Colson, A. O.; Costanzi, S.; Gershengorn, M. C.; A virtual screen for diverse ligands: discovery of selective G protein-coupled receptor antagonists. J. Am. Chem. Soc. 2008, 130 (15), 5115-5123.
	Webb, T. R.; Venegas, R. E.; Wang, J.; Deschenes, A.; Generation of New Synthetic Scaffolds Using Framework Libraries Selected and Refined via Medicinal Chemist Synthetic Expertise. J. Chem. Inf. Model. 2008, 48 (4), 882-888.
	Nieland, T. J.; Shaw, J. T.; Jaipuri, F. A.; Duffner, J. L.; Koehler, A. N.; Banakos, S.; Zannis, V. I.; Kirchhausen, T.; Krieger, M.; Identification of the molecular target of small molecule inhibitors of HDL receptor SR-BI activity. Biochem. 2008, 47 (1), 460-472.
	van Leyen, K.; Arai, K.; Jin, G.; Kenyon, V.; Gerstner, B.; Rosenberg, P. A.; Holman, T. R.; Lo, E. H.; Novel lipoxygenase inhibitors as neuroprotective reagents. J. Neurosci Res. 2008, 86 (4), 904-909.
	Nathans, R.; Cao, H.; Sharova, N.; Ali, A.; Sharkey, M.; Stranska, R.; Stevenson, M.; Rana, T. M.; Small-molecule inhibition of HIV-1 Vif. Nat. Biotechnol. 2008, 26 (10), 1187-1192.
	Severson, W. E.; McDowell, M.; Ananthan, S.; Chung, D. H.; Rasmussen, L.; Sosa, M. I.; White, E. L.; Noah, J.; Jonsson, C. B.; High-throughput screening of a 100,000-compound library for inhibitors of influenza A virus (H3N2). J. Biomol. Screen. 2008, 13 (9), 879-887.
	Wood, T. E.; Dalili, S.; Simpson, C. D.; Hurren, R.; Mao, X.; Saiz, F. S.; Gronda, M.; Eberhard, Y.; Minden, M. D.; Bilan, P. J.; Klip, A.; Batey, R. A.; Schimmer, A. D.; A novel inhibitor of glucose uptake sensitizes cells to FAS-induced cell death. Mol. Cancer Ther. 2008, 7 (11), 3546-3555.
	Wang, Y. Y.; Chang, R. B.; Waters, H. N.; McKemy, D. D.; Liman, E. R.; The nociceptor ion channel TRPA1 is potentiated and inactivated by permeating calcium ions. J. Biol Chem. 2008, 283 (47), 32691-32703.
	Jayathilaka, K.; Sheridan, S. D.; Bold, T. D.; Bochenska, K.; Logan, H. L.; Weichselbaum, R. R.; Bishop, D. K.; Connell, P. P.; A chemical compound that stimulates the human homologous recombination protein RAD51. PNAS. 2008, 105 (41), 15848-15853.
	Ratia, K.; Pegan, S.; Takayama, J.; Sleeman, K.; Couglin, M.; Baliji, S.; Chaudhuri, R.; Fu, W.; Prabhakar, B. S.; Johnson, M. E.; Baker, S. C.; Ghosh, A. K.; Mesecar, A. D.; Expand+A noncovalent class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication. PNAS. 2008, 105 (42), 16119-16124.
	Pencheva, T.; Lagorce, D.; Pajeva, I.; Villoutreix, B. O.; Miteva, M. A.; AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening. BMC Bioinform. 2008, 9:438.
	Eid, S. R.; Crown, E. D.; Moore, E. L.; Liang, H. A.; Choong, K.; Dima, S.; Henze, D. A.; Kane, S. A.; Urban, M. O.; HC-030031, a TRPA1 selective antagonist, attenuates inflammatory- and neuropathy-induced mechanical hypersensitivity. Mol. Pain 2008, 4:48.
	Chevillet, J. R.; Park, G. J.; Bedalov, A.; Simon, J. A.; Vasioukhin, V. I.; Expand+Identification and characterization of small-molecule inhibitors of hepsin. Mol. Cancer Therap. 2008, 7, 3343-3351.
	Zabotina, O.; Malm, E.; Drakakaki, G.; Bulone, V.; Raikhel, N.; Identification and Preliminary Characterization of a New Chemical Affecting Glucosyltransferase Activities Involved in Plant Cell Wall Biosynthesis. Mol. Plant 2008, 1 (6), 977-989.
	Brady, A. E.; Jones, C. K.; Bridges, T. M.; Kennedy, J. P.; Thompson, A. D.; Heiman, J. U.; Breininger, M. L.; Gentry, P. R.; Yin, H.; Jadhav, S. B.; Shirey, J. K.; Conn, P. J.; Lindsley, C. W.; Centrally active allosteric potentiators of the M4 muscarinic acetylcholine receptor reverse amphetamine-induced hyperlocomotor activity in rats. J. Pharmacol. Exp. Ther. 2008, 327 (3), 941-953.
	Klekota, J.; Roth, F. P.; Chemical substructures that enrich for biological activity. Bioinform. 2008, 24 (21), 2518-2525.
	Lagorce, D.; Sperandio, O.; Galons, H.; Miteva, M. A.; Villoutreix, B. O.; FAF-Drugs2: Free ADME/tox filtering tool to assist drug discovery and chemical biology projects. BMC Bioinform. 2008, 9, 396.
	Rodrigues, C. D.; Hannus, M.; Prudêncio, M.; Martin, C.; Gonçalves, L. A.; Portugal, S.; Epiphanio, S.; Akinc, A.; Hadwiger, P.; Jahn-Hofmann, K.; Röhl, I.; van Gemert, G.; Franetich, J.; Luty, A. J. F.; Sauerwein, R.; Mazier, D.; Koteliansky, V.; Vornlocher, H.; Echeverri, C. J.; Mota, M. M.; Host Scavenger Receptor SR-BI Plays a Dual Role in the Establishment of Malaria Parasite Liver Infection. Cell Host & Microbe. 2008, 4 (3), 271-282.
	Bryant, K. F.; Macari, E. R.; Malik, N.; Boyce, M.; Yuan, J.; Coen, D. M.; ICP34.5-dependent and -independent activities of salubrinal in herpes simplex virus-1 infected cells. Virology. 2008, 379 (2), 197-204.
	Guo, W.; Wu, S.; Liu, J.; Fang, B.; Identification of a Small Molecule with Synthetic Lethality for K-Ras and Protein Kinase C Iota. Cancer Res. 2008, 68, 7403-7408.
	Savaldi-Goldstein, S.; Baiga, T. J.; Pojer, F.; Dabi, T.; Butterfield, C.; Parry, G.; Santner, A.; Dharmasiri, N.; Tao, Y.; Estelle, M.; Noel, J. P.; Chory, J.; New auxin analogs with growth-promoting effects in intact plants reveal a chemical strategy to improve hormone delivery. PNAS. 2008, 105 (39), 15190-15195.
	Jorgensen, I.; Valdivia, R. H.; Pmp-Like Proteins Pls1 and Pls2 Are Secreted into the Lumen of the Chlamydia trachomatis Inclusion. Infect. and Immun. 2008, 76 (9), 3940-3950.
	Yip, K.; Godoi, P. H. C.; Zhai, D.; Garcia, X.; Cellitti, J. F.; Cuddy, M.; Gerlic, M.; Chen, Y.; Satterthwait, A.; Vasile, S.; Sergienko, V.; Reed, J. C.; A TR3/Nur77 Peptide-Based High-Throughput Fluorescence Polarization Screen for Small Molecule Bcl-B Inhibitors. J. Biomol. Screen. 2008, 13 (7), 665-673.
	Moussa, M.; Landrier, J.; Reboul, E.; Ghiringhelli, O.; Coméra, C.; Collet, X.; Fröhlich, K.; Böhm, V.; Borel, P.; Lycopene Absorption in Human Intestinal Cells and in Mice Involves Scavenger Receptor Class B Type I but Not Niemann-Pick C1-Like 1. J. Nutr. 2008, 138, 1432-1436.
	Manetti, F.; Falchi, F.; Crespan, E.; Schenone, S.; Maga, G.; Botta, M.; N-(thiazol-2-yl)-2-thiophene carboxamide derivatives as Abl inhibitors identified by a pharmacophore-based database screening of commercially available compounds. Bioorg. Med. Chem. Lett. 2008, 18 (15), 4328-4331.
	Noberini, R.; Koolpe, M.; Peddibhotla, S.; Dahl, R.; Su, Y.; Cosford, N. D. P.; Roth, G. P.; Pasquale, E. B.; Small Molecules Can Selectively Inhibit Ephrin Binding to the EphA4 and EphA2 Receptors. J. Biol. Chem. 2008, 283, 29461-29472.
	Gratton, S. E. A.; Ropp, P. A.; Pohlhaus, P. D.; Luft, J. C.; Madden, V. C.; Napier, M. E.; DeSimone, J. M.; The effect of particle design on cellular internalization pathways. PNAS. 2008, 105 (33), 11613-11618.
	Mazuc, E.; Villoutreix, B. O.; Malbec, O.; Roumier, T.; Fleury, S.; Leonetti, J. P.; Dombrowicz, D.; Daeron, M.; Martineau, P.; Dariavach, P.; A novel druglike spleen tyrosine kinase binder prevents anaphylactic shock when administered orally. J. Allergy Clin. Immunol. 2008, 122 (1), 188-194.
	Niswender, C. M.; Johnson, K. A.; Weaver, C. D.; Jones, C. K.; Xiang, Z.; Luo, Q.; Rodriguez, A. L.; Marlo, J. E.; de Paulis, T.; Thompson, A. D.; Days, E. L.; Nalywajko, T.; Austin, C. A.; Williams, M. B.; Ayala, J. E.; Williams, R.; Lindsley, C. W.; Conn, P. J.; Discovery, Characterization, and Antiparkinsonian Effect of Novel Positive Allosteric Modulators of Metabotropic Glutamate Receptor 4. Mol. Pharmacol. 2008, 74 (5), 1345-1358.
	Yung, H. W.; Calabrese, S.; Hynx, D.; Hemmings, B. A.; Cetin, I.; Charnock-Jones, D. S.; Burton, G. J.; Evidence of placental translation inhibition and endoplasmic reticulum stress in the etiology of human intrauterine growth restriction. Am. J. Pathol. 2008, 173 (2), 451-462.
	Fells, J. I.; Tsukahara, R.; Fujiwara, Y.; Liu, J.; Perygin, D. H.; Osborne, D. A.; Tigyi, G.; Parrill, A. L.; Identification of non-lipid LPA3 antagonists by virtual screening. Cancer Cell 2008, 13 (5), 454-463.
	Lain, S.; Hollick, J. J.; Campbell, J.; Staples, O. D.; Higgins, M.; Aoubala, M.; McCarthy, A.; Appleyard, V.; Murray, K. E.; Baker, L.; Thompson, A.; Mathers, J.; Holland, S. J.; Stark, M. J.; Pass, G.; Woods, J.; Lane, D. P.; Westwood, N. J.; Discovery, in vivo activity, and mechanism of action of a small-molecule p53 activator. Cancer Cell 2008, 13 (5), 454-463.
	Lisk, G.; Pain, M.; Gluzman, I. Y.; Kambhampati, S.; Furuya, T.; Su, X.; Fay, M. P.; Goldberg, D. E.; Desai, S. A.; Changes in the Plasmodial Surface Anion Channel Reduce Leupeptin Uptake and Can Confer Drug Resistance in Plasmodium falciparum-Infected Erythrocytes. Antimicrob. Agents Chemother. 2008, 52 (7), 2346-2354.
	Sachidanandan, C.; Yeh, J. J.; Peterson, Q. P.; Peterson, R. T.; Identification of a Novel Retinoid by Small Molecule Screening with Zebrafish Embryos. PLoS One. 2008, 3 (4), e1947.
	Sauton, N.; Lagorce, D.; Villoutreix, B. O.; Miteva, M. A.; MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening. BMC Bioinform. 2008, 9, 184.
	Yang, W. S.; Stockwell, B. R.; Synthetic Lethal Screening Identifies Compounds Activating Iron-Dependent, Nonapoptotic Cell Death in Oncogenic-RAS-Harboring Cancer Cells. Chem. & Biol. 2008, 15 (3), 234-245.
	Parrill, A. L.; Echols, U.; Nguyen, T.; Pham, T. C.; Hoeglund, A.; Baker, D. L.; Virtual screening approaches for the identification of non-lipid autotaxin inhibitors. Bioorg. Med. Chem. 2008, 16 (4), 1784-1795.
	Norambuena, L.; Zouhar, J.; Hicks, G. R.; Raikhel, N. V.; Identification of cellular pathways affected by Sortin2, a synthetic compound that affects protein targeting to the vacuole in Saccharomyces cerevisiae. BMC Chem. Biol. 2008, 8 (1).
	Herschhorn, A.; Oz-Gleenberg, I.; Hizi, A.; Mechanism of inhibition of HIV-1 reverse transcriptase by the novel broad-range DNA polymerase inhibitor N-{2-[4-(aminosulfonyl)phenyl]ethyl}-2-(2-thienyl)acetamide. Biochem. 2008, 47 (1), 490-502.
	Kirchhausen, T.; Macia, E.; Pelish, H. E.; Use of dynasore, the small molecule inhibitor of dynamin, in the regulation of endocytosis. Methods Enzymol. 2008, 438, 77-93.
	Uciechowska, U.; Schemies, J.; Neugebauer, R. C.; Huda, E.; Schmitt, M. L.; Meier, R.; Verdin, E.; Jung, M.; Sippl, W.; Thiobarbiturates as Sirtuin Inhibitors: Virtual Screening, Free-Energy Calculations, and Biological Testing. ChemMedChem 2008, 3 (12), 1965-1976.
	Rozenfeld, R.; Devi, L. A.; Regulation of CB1 cannabinoid receptor trafficking by the adaptor protein AP-3. FASEB 2008.
	Takabe, K.; Paugh, S. W.; Milstien, S.; Spiegel, S.; "Inside-Out" Signaling of Sphingosine-1-Phosphate: Therapeutic Targets. Pharmacol Rev. 2008.
	Tegos, G. P.; Masago, K.; Aziz, F.; Higginbotham, A.; Stermitz, F. R.; Hamblin, M. R.; Inhibitors of bacterial multidrug efflux pumps potentiate antimicrobial photoinactivation. AAC 2008.
	Lisk, G.; Pain, M.; Gluzman, I. Y.; Kambhampati, S.; Furuya, T.; Su, X.; Fay, M. P.; Goldberg, D. E.; Desai, S. A.; Changes in PSAC Reduce Leupeptin Uptake and Can Confer Drug Resistance in P. falciparum-Infected Erythrocytes. PNAS 2008.
	Christian, M.; Hannah, W. B.; Lüthen, H.; Jones, A. M.; Identification of auxins by a chemical genomics approach. J. Exp. Botany 2008.
	Kostka, M.; Högen, T.; Danzer, K. M.; Levin, J.; Habeck, M.; Wirth, A.; Wagner, R.; Glabe, C. G.; Finger, S.; Heinzelmann, U.; Garidel, P.; Duan, W.; Ross, C. A.; Kretzschmar, H.; Giese, A.; Single-particle characterization of iron-induced pore-forming a-synuclein oligomers. J. of Bio. Chem. 2008.
	Yu, P. B.; Hong, C. C.; Sachidanandan, C.; Babitt, J. L.; Deng, D. Y.; Hoyng, S. A.; Lin, H. Y.; Bloch, K. D.; Peterson, R. T.; Dorsomorphin inhibits BMP signals required for embryogenesis and iron metabolism. Nature Chem. Bio. 2008, 4, 33-41.
	Chen, X.; Zhong, S.; Zhu, X.; Dziegielewska, B.; Ellenberger, T.; Wilson, G. M.; Mackerell, Jr., A. D.; Tomkinson, A. E.; Rational Design of Human DNA Ligase Inhibitors that Target Cellular DNA Replication and Repair. Cancer Res. 2008, 68, 3169-3177.
	Kravchenko, J. E.; Ilyinskaya, G. V.; Komarov, P. G.; Agapova, L. S.; Kochetkov, D. V.; Strom, E.; Frolova, E. I.; Kovriga, I.; Gudkov, A. V.; Feinstein, E.; Chumakov, P. M.; Small-molecule RETRA suppresses mutant p53-bearing cancer cells through a p73-dependent salvage pathway.  PNAS  2008, 105 (17), 6302-6307.
	Wang, Q.; Li, L.; Ye, Y.; Inhibition of p97-dependent Protein Degradation by Eeyarestatin I. J. Biol. Chem. 2008, 283 (12), 7445-7454.
	Sadek, H.; Hannack, B.; Choe, E.; Wang, E.; Latif, S.; Garry, M. G.; Garry, D. J.; Longgood, J.; Frantz, D. E.; Olson, E. N.; Hsieh, J.; Schneider, J. W.; Cardiogenic small molecules that enhance myocardial repair by stem cells.  PNAS 2008, 105 (16), 6063-6068.
	Neugebauer, R. C.; Uchiechowska, U.; Meier, R.; Hruby, H.; Valkov, V.; Verdin, E.; Sippl, W.; Jung, M.; Structure-Activity Studies on Splitomicin Derivatives as Sirtuin Inhibitors and Computational Prediction of Binding Mode.  J. Med Chem. 2008, 51, 1203-1213.
	Dupré, A.; Boyer-Chatenet, L.; Sattler, R. M.; Modi, A. P.; Lee, J.; Nicolette, M. L.; Kopelovich, L.; Jasin, M.; Baer, R.; Paull, T. T.; Gautier, J.;  A forward chemical genetic screen reveals an inhibitor of the Mre11-Rad50-Nbs1 complex.  Nature Chem. Bio. 2008, 4 (2), 119-125.
	Handeli, S.; Simon, J. A.; A small-molecule inhibitor of Tcf/ß-catenin signaling down-regulates PPAR and PPAR activities. Mol. Cancer Therap. 2008, 7, 521-529.
	Montes, M.; Braud, E.; Miteva, M. A.; Goddard, M.; Mondésert, O.; Kolb, S.; Brun, M.; Ducommun, B.; Garbay, C.; Villoutreix, B. O.; Receptor-Based Virtual Ligand Screening for the Identification of Novel CDC25 Phosphatase Inhibitors. J. Chem. Inf. Model. 2008, 48, 157-165.
	Herschhorn, A.; Oz-Gleenberg, I.; Hizi, A.; Mechanism of Inhibition of HIV-1 Reverse Transcriptase by the Novel Broad-Range DNA Polymerase Inhibitor N-{2-[4-(Aminosulfonyl)phenyl]ethyl}-2-(2-thienyl)acetamide.;  Biochemistry 2008, 47, 490-502.
	Mao, H.; Thakur, C. S.; Chattopadhyay, S.; Silverman, R. H.; Gudkov, A.; Banerjee, A. K.; Inhibition of human parainfluenza virus type 3 infection by novel small molecules. Antiviral Res. 2008, 77 (2), 83-94.
	Boyce, M.; Py, B. F.; Ryazanov, A. G.; Minden, J. S.; Long, K.; Ma, D.; Yuan, J.; A pharmacoproteomic approach implicates eukaryotic elongation factor 2 kinase in ER stress-induced cell death. Cell Death and Differentiation 2008, 15, 589-599.

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2007 Publications +/-

	Gordon, E. J.; Small-molecule screening: it takes a village... ACS Chem. Biol. 2007, 2 (1), 9-16.
	Clark, D. E.; Outsourcing lead optimization: constant change is here to stay. Drug Disc. Today 2007, 12 (1-2), 62-70.
	Villedieu, M.; Briand, M.; Duval, M.; Héron, J. F.; Gauduchon, P.; Poulain, L.; Anticancer and chemosensitizing effects of 2,3-DCPE in ovarian carcinoma cell lines: link with ERK activation and modulation of p21WAF1/CIP1, Bcl-2 and Bcl-xL expression. Gynecol. Oncol. 2007, 105 (2), 373-384.
	Dove, A.; High-throughput screening goes to school. Nature Methods. 2007, 4, 523-532.
	Bohme Leite, T.; Gomes, D.; Miteva, M. A.; Chomilier, J.; Villoutreix, B. O.; Tufféry, P.; Frog: a FRee Online druG 3D conformation generator. Nucleic Acids Res. 2007, 35, W568-W572.
	Webb, T. R.; Jiang, L.; Sviridov, S.; Venegas, R. E.; Vlaskina, A. V.; McGrath, D.; Tucker, J.; Wang, J.; Deschenes, A.; Li, R.; Application of a novel design paradigm to generate general nonpeptide combinatorial templates mimicking beta-turns: synthesis of ligands for melanocortin receptors. J. Comb. Chem. 2007, 9 (4), 704-710.
	Louise-May, S.; Yang, W.; Nie, X.; Liu, D.; Deshpande, M. S.; Phadke, A. S.; Huang, M.; Agarwal, A.; Discovery of novel dialkyl substituted thiophene inhibitors of HCV by in silico screening of the NS5B RdRp. Bioorg. Med. Che. Lett. 2007, 17 (14), 3905-3909.
	Sprous, D. G.; Salemme, F. R.; A comparison of the chemical properties of drugs and FEMA/FDA notified GRAS chemical compounds used in the food industry. Food Chem. Toxicol. 2007, 45 (8), 1419-1427.
	Ma, M. L.; Li, X. Y.; Wen, K.; Liu, Y. A.; 5-Hexylidene-4-propylamino-1,5-dihydroimidazol-2-one formed from Cu-catalyzed oxidation with implication for the structure of a His-Lys cross-link. Chinese Chem. Lett. 2007, 18 (9), 1025-1028.
	Korn, K.; Krausz, E.; Cell-based high-content screening of small-molecule libraries. Curr. Op. Chem. Biol. 2007, 11 (5), 503-510.
	He, X.; Alian, A.; Ortiz de Montellano, P. R.; Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides. Bioorg. Med. Chem. 2007, 15 (21), 6649-6658.
	Luzhkov, V. B.; Selisko, B.; Nordqvist, A.; Peyrane, F.; Decroly, E.; Alvarez, K.; Karlen, A.; Canard, B.; Qvist, J.; Virtual screening and bioassay study of novel inhibitors for dengue virus mRNA cap (nucleoside-2'O)-methyltransferase. Bioorg. Med. Chem. 2007, 15 (24), 7795-7802.
	Sviridov, S. I.; Vasil'ev, A. A.; Shorshnev, S. V.; Straightforward transformation of isoxazoles into pyrazoles: renewed and improved. Tetrahedron. 2007, 63 (49), 12195-12201.
	Glaser, B. T.; Bergendahl, V.; Thompson, N. E.; Olson, B.; Burgess, R. R.; LRET-based HTS of a small-compound library for inhibitors of bacterial RNA polymerase. Assay Drug Dev. Technol. 2007, 5 (6), 759-768.
	Honson, N. S.; Johnson, R. L.; Huang, W.; Inglese, J.; Austin, C. P.; Kuret, J.; Differentiating Alzheimer disease-associated aggregates with small molecules. Neurobiol. Dis. 2007, 28 (3), 251-260.
	Kolpakov, F.; Poroikov, V.; Sharipov, R.; Kondrakhin, Y.; Zakharov, A.; Lagunin, A.; Milanesi, L.; Kel, A.; CYCLONET—an integrated database on cell cycle regulation and carcinogenesis. Nucleic Acids Res. 2007, 35, D550-D556.
	Webster, S. P.; Ward, P.; Binnie, M.; Craigie, E.; McConnell, K. M. M.; Sooy, K.; Vinter, A.; Seckl, J. R.; Walker, B. R.; Discovery and biological evaluation of adamantyl amide 11β-HSD1 inhibitors. Bioorg. & Med. Chem. Lett. 2007, 17 (10), 2838-2843.
	Lu, R. J.; Tucker, J. A.; Zinevitch, T.; Kirichenko, O.; Konoplev, V.; Kuznetsova, S.; Sviridov, S.; Pickens, J.; Tandel, S.; Brahmachary, E.; Yang, Y.; Wang, J.; Freel, S.; Fisher, S.; Sullivan, A.; Zhou, J.; Stanfield-Oakley, S.; Greenberg, M.; Bolognesi, D.; Bray, B.; Koszalka, B.; Jeffs, P.; Khasanov, A.; Ma, Y. A.; Jeffries, C.; Liu, C.; Proskurina, T.; Zhu, T.; Chucholowski, A.; Li, R.; Sexton, C.; Design and synthesis of human immunodeficiency virus entry inhibitors: sulfonamide as an isostere for the alpha-ketoamide group. J. Med. Chem. 2007, 50 (26), 6535-6544.
	Stebbins, J. L.; Zhang, Z.; Chen, J.; Wu, B.; Emdadi, A.; Williams, M. E.; Cashman, J.; Pellecchia, M.; Nuclear magnetic resonance fragment-based identification of novel FKBP12 inhibitors. J. Med. Chem. 2007, 50 (26), 6607-6617.
	Szewczuk, L. M.; Saldanha, S. A.; Ganguly, S.; Bowers, E. M.; Javoroncov, M.; Karanam, B.; Culhane, J. C..; Holbert, M. A.; Klein, D. C.; Abagyan, R.; Cole, P. A.; De Novo Discovery of Serotonin N-Acetyltransferase Inhibitors. J. Med. Chem. 2007, 50 (22), 5330-5338.
	Mallya, M.; Phillips, R. L.; Saldanha, S. A.; Gooptu, B.; Brown, S. C.; Termine, D. J.; Shirvani, A. M.; Wu, Y.; Sifers, R. N.; Abagyan, R.; Lomas, D. A.; Small molecules block the polymerization of Z alpha1-antitrypsin and increase the clearance of intracellular aggregates. J. Med. Chem. 2007, 50 (22), 5357-5363.
	Bowman, A. L.; Nikolovska-Coleska, Z.; Zhong, H.; Wang, S.; Carlson, H. A.; Small Molecule Inhibitors of the MDM2-p53 Interaction Discovered by Ensemble-Based Receptor Models. J. Am. Chem. Soc. 2007, 129 (42), 12809-12814.
	Kasam, V.; Zimmermann, M.; Maaβ, A.; Schwichtenberg, H.; Wolf, A.; Jacq, N.; Breton, V.; Hofmann-Apitius, M.; Design of New Plasmepsin Inhibitors: A Virtual High Throughput Screening Approach on the EGEE Grid. J. Chem. Inf. Model. 2007, 47 (5), 1818-1828.
	Hu, X.; Prehna, G.; Stebbins, C. E.; Targeting plague virulence factors: a combined machine learning method and multiple conformational virtual screening for the discovery of Yersinia protein kinase A inhibitors. J. Med. Chem. 2007, 50 (17), 3980-3983.
	Furci, L. M.; Lopes, P.; Eakanunkul, S.; Zhong, S.; MacKerell, Jr., A. D..; Wilks, A.; Inhibition of the bacterial heme oxygenases from Pseudomonas aeruginosa and Neisseria meningitidis: novel antimicrobial targets. J. Med. Chem. 2007, 50 (16), 3804-3813.
	Sperandio, O.; Andrieu, O.; Miteva, M. A.; Vo, M.; Souaille, M.; Delfaud, F.; Villoutreix, B. O.; MED-SuMoLig: A New Ligand-Based Screening Tool for Efficient Scaffold Hopping. J. Chem. Inf. Model. 2007, 47 (3), 1097-1110.
	Spannhoff, A.; Heinke, R.; Bauer, I.; Trojer, P.; Metzger, E.; Gust, R.; Schüle, R.; Brosch, G.; Sippl, W.; Jung, M.; Target-Based Approach to Inhibitors of Histone Arginine Methyltransferases. J. Med. Chem. 2007, 50 (10), 2319-2325.
	Zhang, M.; Flynn, D. L.; Hanson, P. R.; Oligomeric Benzylsulfonium Salts: Facile Benzylation via High-Load ROMP Reagents. J. Org. Chem. 2007, 72 (9), 3194-3198.
	Kellenberger, E.; Springael, J.; Parmentier, M.; Hachet-Haas, M.; Galzi, J.; Rognan, D.; Identification of Nonpeptide CCR5 Receptor Agonists by Structure-based Virtual Screening. J. Med. Chem. 2007, 50 (6), 1294-1303.
	Franz, A. K.; Dreyfuss, P. D.; Schreiber, S. L.; Synthesis and Cellular Profiling of Diverse Organosilicon Small Molecules. J. Am. Chem. Soc. 2007, 129 (5), 1020-1021.
	Jacob, III, P.; Wilson, M.; Benowitz, N. L.; Determination of Phenolic Metabolites of Polycyclic Aromatic Hydrocarbons in Human Urine as Their Pentafluorobenzyl Ether Derivatives Using Liquid Chromatography-Tandem Mass Spectrometry. Anal. Chem. 2007, 79 (2), 587-598.
	Yang, P.; Whelan, R. J.; Mao, Y.; Lee, A. W.-M.; Carter-Su, C.; Kennedy, R. T.; Multiplexed Detection of Protein-Peptide Interaction and Inhibition Using Capillary Electrophoresis. Anal. Chem. 2007, 79 (4), 1690-1695.
	Borrok, M. J.; Kiessling, L. L.; Non-carbohydrate Inhibitors of the Lectin DC-SIGN. J. Am. Chem. Soc. 2007, 129 (42), 12780-12785.
	Sarkar, S.; Perlstein, E. O.; Imarisio, S.; Pineau, S.; Cordenier, A.; Maglathlin, R. L.; Webster, J. A.; Lewis, T. A.; O'Kane, C. J.; Schreiber, S. L.; Rubinsztein, D. C.; Small molecules enhance autophagy and reduce toxicity in Huntington's disease models. Nat. Chem. Biol. 2007, 3 (6), 331-338
	Rojas-Pierce, M.; Titapiwatanakun, B.; Sohn, E. J.; Fang, F.; Larive, C. K.; Blakeslee, J.; Cheng, Y.; Cuttler, S.; Peer, W. A.; Murphy, A. S.; Raikhel, N. V.; Arabidopsis P-Glycoprotein19 Participates in the Inhibition of Gravitropism by Gravacin. Chem. and Biol. 2007, 14 (12), 1366-1376.
	Raldúa, D.; Babin, P. J.; BLT-1, a specific inhibitor of the HDL receptor SR-BI, induces a copper-dependent phenotype during zebrafish development. Toxicol. Lett. 2007, 175 (1-3), 1-7.
	Xu, X.; Chua, C. C.; Kong, J.; Kostrzewa, R. M.; Kumaraguru, U.; Hamdy, R. C.; Chua, B. H.; Necrostatin-1 protects against glutamate-induced glutathione depletion and caspase-independent cell death in HT-22 cells. J. Neurochem. 2007, 103 (5), 2004-2014.
	Ma, Z.; Xie, S.; Huang, Q.; Nan, F.; Hurley, T. D.; Ye, Q.; Structural analysis of inhibition of E. coli methionine aminopeptidase: implication of loop adaptability in selective inhibition of bacterial enzymes. BMC Struct. Biol. 2007, 7 (84).
	Smith, C. C. T.; Davidson, S. M.; Lim, S. Y.; Simpkin, J. C.; Hothersall, J. S.; Yellon, D. M.; Necrostatin: A Potentially Novel Cardioprotective Agent? Cardiovasc. Drugs Ther. 2007, 21 (4), 227-233.
	Hudson, D. L.; Layton, A. N.; Field, T. R.; Bowen, A. J.; Wolf-Watz, H.; Elofsson, M.; Stevens, M. P.; Galyov, E. E.; Inhibition of Type III Secretion in Salmonella enterica Serovar Typhimurium by Small-Molecule Inhibitors. Antimicrob.Agents Chemother. 2007, 51 (7), 2631-2635.
	Thankur, C. S.; Jha, B. K.; Dong, B.; Das Gupta, J.; Silverman, K. M.; Mao, H.; Sawai, H.; Nakamura, A. O.; Banerjee, A. K.; Gudkov, A.; Silverman, R. H.; Small-molecule activators of RNase L with broad-spectrum antiviral activity. PNAS. 2007, 104 (23), 9585-9590.
	Costa-Mattioli, M.; Gobert, D.; Stern, E.; Gamache, K.; Colina, R.; Cuello, C.; Sossin, W.; Kaufman, R.; Pelletier, J.; Rosenblum, K.; Krnjević, K.; Lacaille, J.; Nader, K.; Sonenberg, N.; eIF2α Phosphorylation Bidirectionally Regulates the Switch from Short- to Long-Term Synaptic Plasticity and Memory. Cell. 2007, 129 (1), 195-206.
	Lee, V. T.; Pukatzki, S.; Sato, H.; Kikawada, E.; Kazimirova, A. A.; Huang, J.; Li, X.; Arm, J. P.; Frank, D. W.; Lory, S.; Pseudolipasin A is a specific inhibitor for phospholipase A2 activity of Pseudomonas aeruginosa cytotoxin ExoU. Infect. Immun. 2007, 75 (3), 1089-1098.
	Gangadhar, N. M.; Stockwell, B. R.; Chemical genetic approaches to probing cell death. Curr. Opin. Chem. Biol. 2007, 11 (1), 83-87.
	Lee, V. T.; Pukatzi, S.; Sato, H.; Kikawada, E.; Kazimirova, A. A.; Huang, J.; Li, X.; Arm, J. P.; Frank, D. W.; Lory, S.; Pseudolipasin A Is a Specific Inhibitor for Phospholipase A2 Activity of Pseudomonas aeruginosa Cytotoxin ExoU. Infection and Immunity 2007, 75 (3), 1089-1098.
	Outeiro, T. F.; Kontopoulos, E.; Altman, S.; Kufareva, I.; Strathearn, K. E.; Amore, A. M.; Volk, C. B.; Maxwell, M. M.; Rochet, J. C.; McLean, P. J.; Young, A. B.; Abagyan, R.; Feany, M. B.; Hyman, B. T.; Kazantsev, A.; Sirtuin 2 inhibitors rescue a-synuclein-mediated toxicity in models of Parkinson’s disease. hScience 2007, 317, 516-519.
	Xiong, Q.; Sun, H.; Li, M.; Zinc pyrithione-mediated activation of voltage-gated KCNQ potassium channels rescues epileptogenic mutants. Nature Chem. Bio. 2007, 3, 287-296.
	Garske, A. L.; Smith, B. C.; Denu, J. M.; Linking SIRT2 to Parkinson’s Disease. ACS Chem. Bio. 2007, 2 (8), 529-532.
	Denault, J.; Drag, M.; Salvesen, G. S.; Alves, J.; Heidt, A. B.; Deveraux, Q.; Harris, J. L.; Small molecules not direct activators of caspases. Nature Chem. Bio. 2007, 3 (9), 519.
	Shirey, J.K.; Xiang, Z.; Orton, D.; Brady, A.E.; Johnson, K.A.; Williams, R.; Ayala, J.E.; Rodriguez, A.L.; Wess, J.; Weaver, D.; Niswender, C.M.; Conn, P.J.; An allosteric potentiator of M4 mAChR modulates hippocampal synaptic transmission. Nature Chem. Bio. 2007, 4 (1), 42-50.
	Zhao, Y.; Chow, T.F.; Puckrin, R.S.; Alfred, S.E.; Korir, A.K.; Larive, C.K.; Cutler, S.R.; Chemical genetic interrogation of natural variation uncovers a molecule that is glycoactivated. Nature Chem. Bio. 2007, 3 (11), 716-721.
	Hu, Q.; Shattock, R.; Novel Antiviral Agents Targeting HIV Entry and Transmission. Virologica Sinica 2007, 22 (6), 451-461.
	Yang, Y.; Kitagaki, J.; Dai, R.; Tsai, Y. C.; Lorick, K. L.; Ludwig, R. L.; Pierre, S. A.; Jensen, J. P.; Davydov, I. V.; Oberoi, P.; Li, C. H.; Kenten, J. H.; Beutler, J. A.; Vousden, K. H.; Weissman, A. M.; Inhibitors of Ubiquitin-Activating Enzyme (E1), a New Class of Potential Cancer Therapeutics. Cancer Res. 2007, 67 (19), 9472-9481.
	Richardson, R. D.; Smith, J. W.; Novel antagonists of the thioesterase domain of human fatty acid synthase.; Mol Cancer Ther. 2007, 6 (7), 2120- 2126.
	Hirayama, K.; Aoki, S.; Nishikawa, K.; Matsumoto, T.; Wada, K.; Identification of novel chemical inhibitors for ubiquitin C-terminal hydrolase-L3 by virtual screening. Bioorg. Med. Chem. 2007, 15, 6810-6818.
	Huang, M.; Xie, S.; Ma, Z.; Huang, Q.; Nan, F.; Ye, Q.; Inhibition of Monometalated Methionine Aminopeptidase: Inhibitor Discovery and Crystallographic Analysis.; J. Med. Chem. 2007, 50, 5735-5742.
	McNamara, C. R.; Mandel-Brehm, J.; Bautista, D. M.; Siemens, J.; Deranian, K. L.; Zhao, M.; Hayward, N. J.; Chong, J. A.; Julius, D.; Moran, M. M.; Fanger, C. M.; TRPA1 mediates formalin-induced pain. PNAS 2007, 104 (33), 13525-13530.
	Lemaire, G.; Benod, C.; Nahoum, V.; Pillon, A.; Boussioux, A.; Guichou, J.; Subra, G.; Pascussi, J.; Bourguet, W.; Chavanieu, A.; Balaguer, P.; Discovery of a Highly Active Ligand of Human Pregnane X Receptor: A Case Study from Pharmacophore Modeling and Virtual Screening to "In Vivo" Biological Activity. Mol Pharm 2007, 72 (3), 572-581.
	Kimple, A. J.; Willard, F. S.; Giguère, P. M.; Johnston, C. A.; Mocanu, V.; Siderovski, D. P.; The RGS protein inhibitor CCG-4986 is a covalent modifier of the RGS4 Ga-interaction face. BBA-Proteins & Proteomics 2007, 1774 (9), 1213-1220.
	Vidal, D.; Blobel, J.; Pérez, Y.; Thormann, M.; Pons, M.; Structure-based discovery of new small molecule inhibitors of low molecular weight protein tyrosine phosphatase. Eur. J. of Med. Chem. 2007, 42, 1-7.
	Viaud, J.; Zeghouf, M.; Barelli, H.; Zeeh, J.; Padilla, A.; Guibert, B.; Chardin, P.; Royer, C. A.; Cherfils, J.; Chavanieu, A.; Structure-based discovery of an inhibitor of Arf activation by Sec7 domains through targeting of protein-protein complexes. PNAS 2007, 104 (25), 10370-10375.
	Roman, D. L.; Talbot, J. N.; Roof, R. A.; Sunahara, R. K.; Traynor, J. R.; Neubig, R. R.; Identification of Small-Molecule Inhibitors of RGS4 Using a High-Throughput Flow Cytometry Protein Interaction Assay. Mol. Pharmacol. 2007, 71 (1), 169-175.
	Schiffer, N. W.; Broadley, S. A.; Hirschberger, T.; Tavan, P.; Kretschmar, H. A.; Giese, A.; Haass, C.; Hartl, F. U.; Schmid, B.; Identification of Anti-prion Compounds as Efficient Inhibitors of Polyglutamine Protein Aggregation in a Zebrafish Model. J. of Bio. Chem. 2007, 282 (12), 9195-9203.

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2006 Publications +/-

	Walsh, D. P.; Chang, Y.; Chemical Genetics. Chem. Rev. 2006, 106 (6), 2476-2530.
	Sachchidanand; Resnick-Silverman, L.; Yan, S.; Mutjaba, S.; Liu, W. J.; Zeng, L.; Manfredi, J. J.; Zhou, M. M.; Target structure-based discovery of small molecules that block human p53 and CREB binding protein association. Chem. Biol. 2006, 13 (1), 81-90.
	Lukina, T. V.; Sviridov, S. I.; Shorshnev, S. V.; Aleksandrov, G. G.; Stepanov, A. E.; Novel approach to the synthesis of perhydropyrazino[1,2-a]pyrazine derivatives from amino alcohols Tetrahedron Lett. 2006, 47 (1), 51-54.
	Sprous, D. G.; Zhang, J.; Zhang, L.; Wang, Z.; Tepper, M. A.; Kinase inhibitor recognition by use of a multivariable QSAR model. J. Mol. Graph. Model. 2006, 24 (4), 278-295.
	Loregian, A.; Coen, D. M.; Selective anti-cytomegalovirus compounds discovered by screening for inhibitors of subunit interactions of the viral polymerase. Chem. Biol. 2006, 13 (2), 191-200.
	Lukyanov, S. M.; Bliznets, I. V.; Shorshnev, S. V.; Aleksandrov, G. G.; Stepanov, A. E.; Vasil'ev, A. A.; Microwave-assisted synthesis and transformations of sterically hindered 3-(5-tetrazolyl)pyridines. Tetrahedron. 2006, 62 (8), 1849-1863.
	Sviridov, S. I.; Vasil'ev, A. A.; Sergovskaya, N. L.; Chirskaya, M. V.; Shorshnev, S. V.; Azidosubstituted arylboronic acids: synthesis and Suzuki-Miyaura cross-coupling reactions. Tetrahedron. 2006, 62 (11), 2639-2647.
	Cavasotto, C. N.; Ortiz, M. A.; Abagyan, R. A.; Piedrafita, F. J.; In silico identification of novel EGFR inhibitors with antiproliferative activity against cancer cells. Bioorg. Med. Chem. Lett. 2006, 16 (7), 1969-1974.
	Xu, Y.; Shi, J.; Yamamoto, N.; Moss, J. A.; Vogt, P. K.; Janda, K. D.; A credit-card library approach for disrupting protein-protein interactions. Bioorg. Med. Chem. 2006, 14 (8), 2660-2673.
	Hergenrother, P. J.; Obtaining and screening compound collections: a user's guide and a call to chemists. Curr. Opin. Chem. Biol. 2006, 10 (3), 213-218.
	Gu, B.; Ouzunov, S.; Wang, L.; Mason, P.; Bourne, N.; Cuconati, A.; Block, T. M.; Discovery of small molecule inhibitors of West Nile virus using a high-throughput sub-genomic replicon screen. Antiviral Res. 2006, 70 (2), 39-50.
	Miteva, M. A.; Violas, S.; Montes, M.; Gomez, D.; Tuffery, P.; Villoutreix, B. O.; FAF-Drugs: free ADME/tox filtering of compound collections. Nucleic Acids Res. 2006, 34, W738-W744.
	Majee, S. K.; Bandyopadhyay, A.; Pal, A. J.; Tuning of conductance switching by supramolecular structures. Colloids and Surfaces A: Physicochemical and Engineering Aspects. 2006, 284-285, 11-14.
	Richards, M. L.; Lio, S. C.; Sinha, A.; Banie, H.; Thomas, R. J.; Major, M.; Tanji, M.; Sircar, J. C.; Substituted 2-phenyl-benzimidazole derivatives: novel compounds that suppress key markers of allergy. Eur. J. Med. Chem. 2006, 41 (8), 950-969.
	Carlson, E. E.; May, J. F.; Kiessling, L. L.; Chemical Probes of UDP-Galactopyranose Mutase. Chem. Biol. 2006, 13 (8), 825-837.
	Iyer, R.; Barrese, III , A. A.; Parakh, S.; Parker, C. N.; Tripp, B. C.; Inhibition Profiling of Human Carbonic Anhydrase II by High-Throughput Screening of Structurally Diverse, Biologically Active Compounds. J. Biomol. Screen. 2006, 11 (7), 782-791.
	Chekmarev, D. S.; Shorshnev, S. V.; Stepanov, A. E.; Kasatkin, A. N.; Highly selective substitutions in 2,3-dichloropyrazine. A novel general approach to aloisines. Tetrahedron. 2006, 62 (42), 9919-9930.
	Ivanova, N. V.; Sviridov, S. I.; Stepanov, A. E.; Parallel solution-phase synthesis of substituted 2-(1,2,4-triazol-3-yl)benzimidazoles. Tetrahedron Lett. 2006, 47 (46), 8025-8027.
	Chen, F.; Hancock, C. N.; Macias, A. T.; Joh, J.; Still, K.; Zhong, S.; MacKerell, Jr., A. D.; Shapiro, P.; Characterization of ATP-independent ERK inhibitors identified through in silico analysis of the active ERK2 structure. Bioorg. Med. Chem. Lett. 2006, 16 (24), 6281-6287.
	Birkholtz, L.; Bastien, O.; Wells, G.; Grando, D.; Joubert, F.; Kasam, V.; Zimmermann, M.; Ortet, P.; Jacq, N.; Saïdan, N.; Roy, S.; Hofmann-Apitius, M.; Breton, V.; Louw, A. I.; Maréchal, E.; Integration and mining of malaria molecular, functional and pharmacological data: how far are we from a chemogenomic knowledge space? Malaria. 2006, 5:110.
	Kolb, P.; Caflisch, A.; Automatic and efficient decomposition of two-dimensional structures of small molecules for fragment-based high-throughput docking. J. Med. Chem. 2006, 49 (25), 7384-7392.
	Hansen, N. T.; Kouskoumvekaki, I.; Jørgensen, F. S.; Brunak, S.; Jónsdóttir, S. O..; Prediction of pH-dependent aqueous solubility of druglike molecules. J. Chem. Inf. Model. 2006, 46 (6), 2601-2609.
	Ball, A. R.; Casadei, G.; Samosorn, S.; Bremner, J. B.; Ausubel, F. M.; Moy, T. I.; Lewis, K.; Conjugating berberine to a multidrug efflux pump inhibitor creates an effective antimicrobial. ACS Chem. Biol. 2006, 1 (9), 594-600.
	He, X.; Alian, A.; Stroud, R.; Ortiz de Montellano, P. R.; Pyrrolidine Carboxamides as a Novel Class of Inhibitors of Enoyl Acyl Carrier Protein Reductase (InhA) from Mycobacterium tuberculosis. J. Med. Chem. 2006, 49 (21), 6308-6323.
	Mohler, M. L.; Kang, G. S.; Hong, S. S.; Patil, R.; Kirichenko, O. V.; Li, W.; Rakov, I. M.; Geisert, E. E.; Miller, D. D.; Discovery of antiglioma activity of biaryl 1,2,3,4-tetrahydroisoquinoline derivatives and conformationally flexible analogues. J. Med. Chem. 2006, 49 (19), 5845-5848.
	Li, W.; A Fast Clustering Algorithm for Analyzing Highly Similar Compounds of Very Large Libraries. J. Chem. Inf. Model. 2006, 46 (5), 1919-1923.
	Leone, M.; Crowell, K. J.; Chen, J.; Jung, D.; Chiang, G. G.; Sareth, S.; Abraham, R. T.; Pellecchia, M.; The FRB Domain of mTOR: NMR Solution Structure and Inhibitor Design. Biochem. 2006, 45 (34), 10294-10302.
	Konkel, M. J.; Lagu, B.; Boteju, L. W.; Jimenez, H.; Noble, S.; Walker, M. W.; Chandrasena, G.; Blackburn, T. P.; Nikam, S. S.; Wright, J. L.; Kornberg, B. E.; Gregory, T.; Pugsley, T. A.; Akunne, H.; Zoski, K.; Wise, L. D.; 3-arylimino-2-indolones are potent and selective galanin GAL3 receptor antagonists. J. Med. Chem. 2006, 49 (13), 3757-3758.
	Tsai, K. C.; Chen, S. Y.; Liang, P. H.; Lu, I. L.; Mahindroo, N.; Hsieh, H. P.; Chao, Y. S.; Liu, L.; Liu, D.; Lien, W.; Lin, T. H.; Wu, S. Y.; Discovery of a novel family of SARS-CoV protease inhibitors by virtual screening and 3D-QSAR studies. J. Med. Chem. 2006, 49 (12), 3485-3495.
	Schuster, D.; Maurer, E. M.; Laggner, C.; Nashev, L. G.; Wilckens, T.; Langer, T.; Odermatt, A.; The Discovery of New 11β-Hydroxysteroid Dehydrogenase Type 1 Inhibitors by Common Feature Pharmacophore Modeling and Virtual Screening. J. Med. Chem. 2006, 49 (12), 3454-3466.
	Klekota, J.; Brauner, E.; Roth, F. P.; Schreiber, S. L.; Using high-throughput screening data to discriminate compounds with single-target effects from those with side effects. J. Chem. Inf. Model. 2006, 46 (4), 1549-1562.
	Morwick, T.; Berry, A.; Brickwood, J.; Cardozo, M.; Catron, K.; DeTuri, M.; Emeigh, J.; Homon, C.; Hrapchak, M.; Jacober, S.; Jakes, S.; Kaplita, P.; Kelly, T. A.; Ksiazek, J.; Liuzzi, M.; Magolda, R.; Mao, C.; Marshall, D.; McNeil, D.; Prokopowicz, III, A.; Sarko, C.; Scouten, E.; Sledziona, C.; Sun, S.; Watrous, J.; Wu, J. P.; Cywin, C. L.; Evolution of the Thienopyridine Class of Inhibitors of IκB Kinase-β: Part I: Hit-to-Lead Strategies. J. Med. Chem. 2006, 49 (10), 2898-2908.
	Zhu, T.; Yan, Z.; Chucholowski, A.; Webb, T. R.; Li, R.; Polymer-supported synthesis of pyridone-focused libraries as inhibitors of anaplastic lymphoma kinase. J. Comb. Chem. 2006, 8 (3), 401-409.
	Desai, P. V.; Patny, A.; Gut, J.; Rosenthal, P. J.; Tekwani, B.; Srivastava, A.; Avery, M.; Identification of Novel Parasitic Cysteine Protease Inhibitors by Use of Virtual Screening. 2. The Available Chemical Directory. J. Med. Chem. 2006, 49 (5), 1576-1584.
	Björklund, M.; Aitio, O.; Stefanidakis, M.; Suojanen, J.; Salo, T.; Sorsa, T.; Koivunen, E.; Stabilization of the Activated αMβ2 Integrin by a Small Molecule Inhibits Leukocyte Migration and Recruitment. Biochem. 2006, 45 (9), 2862-2871.
	Kenyon, V.; Chorny, I.; Carvajal, W. J.; Holman, T. R.; Jacobson, M. P.; Novel Human Lipoxygenase Inhibitors Discovered Using Virtual Screening with Homology Models. J. Med. Chem. 2006, 49 (4), 1356-1363.
	Rella, M.; Rushworth, C. A.; Guy, J. L.; Turner, A. J.; Langer, T.; Jackson, R. M.; Structure-based pharmacophore design and virtual screening for novel angiotensin converting enzyme 2 inhibitors. J. Chem. Inf. Model. 2006, 46 (2), 708-716.
	Buchholz, M.; Heiser, U.; Schilling, S.; Niestroj, A. J.; Zunkel, K.; Demuth, H. U.; The first potent inhibitors for human glutaminyl cyclase: synthesis and structure-activity relationship. J. Med. Chem. 2006, 49 (2), 664-677.
	Yang, M.; Wei, H.; Application of a Neural Network for the Prediction of Crystallization Kinetics. Ind. Eng. Chem. Res. 2006, 45 (1), 70-75.
	Schuffenhauer, A.; Brown, N.; Selzer, P.; Ertl, P.; Jacoby, E.; Relationships between Molecular Complexity, Biological Activity, and Structural Diversity. J. Chem. Inf. Model. 2006, 46 (2), 525-535.
	Blangy, A.; Bouquier, N.; Gauthier-Rouvière, C.; Schmidt, S.; Debant, A.; Leonetti, J. P.; Fort, P.; Identification of TRIO-GEFD1 chemical inhibitors using the yeast exchange assay. Biol. Cell. 2006, 98 (9), 511-522.
	Moerke, N. J.; Aktas, H.; Chen, H.; Cantel, S.; Reibarkh, M. Y.; Fahmy, A.; Gross, J. D.; Degterev, A.; Yuan, J.; Chorev, M.; Halperin, J. A.; Wagner, G.; Small-Molecule Inhibition of the Interaction between the Translation Initiation Factors eIF4E and eIF4G. Cell. 2006, 128 (2), 257-267.
	Wolf, K.; Betts, H. J.; Chellas-Géry, B.; Hower, S.; Linton, C. N.; Fields, K. A.; Treatment of Chlamydia trachomatis with a small molecule inhibitor of the Yersinia type III secretion system disrupts progression of the chlamydial developmental cycle. Mol. Microbiol. 2006, 61 (6), 1543-1555.
	Moy, T. I.; Ball, A. R.; Anklesaria, Z.; Casadei, G.; Lewis, K.; Ausubel, F. M.; Identification of novel antimicrobials using a live-animal infection model. PNAS. 2006, 103 (27), 10414-10419.
	Murphey, R. D.; Zon, L. I.; Small molecule screening in the zebrafish. Methods. 2006, 39 (3), 255-261.
	French, K. J.; Upson, J. J.; Keller, S. N.; Zhuang, Y.; Yun, J. K.; Smith, C. D.; Antitumor Activity of Sphingosine Kinase Inhibitors. J. of Pharma. Exp. Therap. 2006, 318 (2), 596-603.
	Peterson, J. R.; Lebensohn, A. M.; Pelish, H. E.; Kirschner, M. W.; Biochemical suppression of small molecule inhibitors: a new strategy to identify inhibitor targets and signaling pathway components. Chem. Biol. 2006, 13 (4), 443-452.
	Monge, A.; Arrault, A.; Marot, C.; Morin-Allory, L.; Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers. Mol. Divers. 2006, 10 (3), 389-403.
	Xie, S. X.; Huang, W. J.; Ma, Z. Q.; Huang, M.; Hanzlik, R. P.; Ye, Q. Z.; Structural analysis of metalloform-selective inhibition of methionine aminopeptidase. Acta Cryst. 2006, 62 (4), 425-432.
	Pelish, H. E.; Ciesla, W.; Tanaka, N.; Reddy, K.; Shair, M. D.; Kirchhausen, T.; Lencer, W. I.; The Cdc42 inhibitor secramine B prevents cAMP-induced K+ conductance in intestinal epithelial cells. Biochem. Pharmacol. 2006, 71 (12), 1720-1726.
	Schimmer, A. D.; Thomas, M. P.; Hurren, R.; Gronda, M.; Pellecchia, M.; Pond, G. R.; Konopleva, M.; Gurfinkel, D.; Mawji, I. A.; Brown, E.; Reed, J. C.; Identification of Small Molecules that Sensitize Resistant Tumor Cells to Tumor Necrosis Factor-Family Death Receptors. Cancer Res. 2006, 66, 2367-2375.
	Li, R.; Xue, L.; Zhu, T.; Jiang, Q.; Cui, X.; Yan, Z.; McGee, D.; Wang, J.; Gantla, V. R.; Pickens, J. C.; McGrath, D.; Chucholowski, A.; Morris, S. W.; Webb, T. R.; Design and Synthesis of 5-Aryl-pyridone-carboxamides as Inhibitors of Anaplastic Lymphoma Kinase. J. Med. Chem. 2006, 49, 1006-1015.
	Watanabe, M.; Houten, S. M.; Mataki, C.; Christoffolete, M. A.; Kim, B. W.; Sato, H.; Messaddeq, N.; Harney, J. W.; Ezaki, O.; Kodama, T.; Schoonjans, K.; Bianco, A. C.; Auwerx, J.; Bile acids induce energy expenditure by promoting intracellular thyroid hormone activation. Nature 2006, 439, 484-489.
	Bodner, R. A.; Outeiro, T. F.; Altmann, S.; Maxwell, M. M.; Cho, S. H.; Hyman, B. T.; McLean, P. J.; Young, A. B.; Housman, D. E.; Kazantsev, A. G.; Pharmacological promotion of inclusion formation: a therapeutic approach for Huntington’s and Parkinson’s diseases. PNAS 2006, 103 (11), 4246-4251.
	Kwok, T. C. Y.; Ricker, N.; Fraser, R.; Chan, A. W.; Burns, A.; Stanley, E. F.; McCourt, P.; Cutler, S. R.; Roy, P. J. ; A small-molecule screen in C. elegans yields a new calcium channel antagonist. Nature 2006, 441, 91-95.
	Kim, S.; Henry, E. C.; Kim, D.; Kim, Y.; Shin, K. J.; Han, M. S.; Lee, T. G.; Kang, J.; Gasiewicz, T. A.; Ryu, S. H.; Suh, P.; Novel Compound 2-Methyl-2H-pyrazole-3-carboxylic Acid (2-methyl-4-o-tolylazo-phenyl)-amide (CH-223191) Prevents 2,3,7,8-TCDD-Induced Toxicity by Antagonizing the Aryl Hydrocarbon Receptor. Mol. Pharmacol. 2006, 69, 1871-1878.
	Williamson, L.; Raess, N. A.; Caldelari, R.; Zakher, A.; de Bruin, A.; Posthaus, H.; Bolli, R.; Hunziker, T.; Suter, M. M.; Müller, E. J.; Pemphigus vulgaris identifies plakoglobin as key suppressor of c-Myc in the skin. EMBO 2006, 25, 3298-3309.
	Salvador-Recatala, V.; Kim, Y.; Zaks-Makhina, E.; Levitan, E. S.; Voltage-Gated K+ Channel Block by Catechol Derivatives: Defining Nonselective and Selective Pharmacophores. J. Pharmacol. Exp. Therap. 2006, 319, 758-764.
	Schön, A.; Madani, N.; Klein, J. C.; Hubicki, A.; Ng, D.; Yang, X.; Smith, III, A. B.; Sodroski, J.; Freire, E.; Thermodynamics of Binding of a Low-Molecular-Weight CD4 Mimetic to HIV-1 gp120. Biochemistry 2006, 45 (36), 10973-10980.
	De La Fuente, R.; Sonawane, N. D.; Arumainayegam, D.; Verkman, A. S.; Small molecules with antimicrobial activity against E. coli and P. aeruginosa identified by high-throughput screening. British J. of Pharmacol. 2006, 149, 551-559.
	Söderberg, O., Gullberg, M.; Jarvius, M.; Ridderstråle, K.; Leuchowius, K.; Jarvius, J.; Wester, K.; Hydbring, P.; Bahram, F.; Larsson, L.; Landegren, U.; Direct observation of individual endogenous protein complexes in situ by proximity ligation. Nature Methods 2006, 3, 995-1000.
	Burns, A. R.; Kwok, T. C. Y.; Howard, A.; Houston, E.; Johanson, K.; Chan, A.; Cutler, S. R.; McCourt, P.; Roy, P. J.; High-throughput screening of small molecules for bioactivity and target identification in Caenorhabditis elegans. Nature Protocols 2006, 1 (4), 1906-1914.
	Huang, C.; Harootunian, A.; Maher, M. P.; Quan, C.; Raj, C. D.; McCormack, K.; Numann, R.; Negulescu, P. A.; González, J. E.; Characterization of voltage-gated sodium-channel blockers by electrical stimulation and fluorescence detection of membrane potential. Nature Bio. 2006, 24, 439-446.
	Putt, K. S.; Chen, G. W.; Pearson, J. M.; Sandhorst, J. S.; Hoagland, M. S.; Kwon, J.; Hwang, S.; Jin, H.; Churchwell, M. I.; Cho, M.; Doerge, D. R.; Helferich, W. G.; Hergenrother, P. J.; Small-molecule activation of procaspase-3 to caspase-3 as a personalized anticancer strategy. Nature Chem. Bio. 2006, 2 (10), 543-550.
	Murphy, G. J.; Mostoslavsky, G.; Kotton, D. N.; Mulligan, R. C.; Exogenous control of mammalian gene expression via modulation of translational termination. Nature Med. 2006, 12 (9), 1093-1099.
	Ducker, C. E.; Griffel, L. K.; Smith, R. A.; Keller, S. N.; Zhuang, Y.; Xia, Z.; Diller, J. D.; Smith, C. D.; Discovery and characterization of inhibitors of human palmitoyl acyltransferases. Mol. Cancer Ther. 2006, 5 (7), 1647-1659.
	Strom, E.; Sathe, S.; Komarov, P. G.; Chernova, O. B.; Pavlovska, I.; Shyshynova, I.; Bosykh, D. A.; Burdelya, L. G.; Macklis, R. M.; Skaliter, R.; Komarova, E. A.; Gudkov, A. V.; Small-molecule inhibitor p53 binding to mitochondria protects mice from gamma radiation. Nature Chem. Bio. 2006.
	Verheij, H. J.; Leadlikeness and structural diversity of synthetic screening libraries. Mol. Diversity 2006, 10 (3), 377-388.
	Robert, F.; Kapp, L. D.; Khan, S. N.; Acker, M. G.; Kolitz, S.; Kazemi, S.; Kaufman, R. J.; Merrick, W. C.; Koromilas, A. E.; Lorsch, J. R.; Pelletier, J.; Initiation of Protein Synthesis by Hepatitis C Virus is Refractory to Reduced eIF2 · GTP · Met-tRNAiMet Ternary Complex Availability. Mol. Biol. Cell. 2006, 17, 4632-4644.
	Macia, E.; Ehrlich, M.; Massol, R.; Boucrot, E.; Brunner, C.; Kirchhausen, T.; Dynasore, a Cell-Permeable Inhibitor of Dynamin. Dev. Cell. 2006, 10 (6), 839-850.

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2005 Publications +/-

	Masuda, Y.; Haraguchi, K.; Kono, S.; Tsuiji, H.; Päpke, O.; Concentrations of dioxins and related compounds in the blood of Fukuoka residents. Chemosphere. 2005, 58 (3), 329-344.
	Boutin, J. A.; Chatelain-Egger, F.; Vella, F.; Delagrange, P.; Ferry, G.; Quinone reductase 2 substrate specificity and inhibition pharmacology. Chem. Biol. Interact. 2005, 151 (3), 213-228.
	Lukina, T. V.; Sviridov, S. I.; Shorshnev, S. V.; Alexandrov, G. G.; Stepanov, A. E.; Intramolecular [2+3]-addition of an azide to a C=C double bond as a novel approach to piperazines. Tetrahedron Lett. 2005, 46 (7), 1205-1207.
	Chekmarev, D. S.; Stepanov, A. E.; Kasatkin, A. N.; Highly selective mono-substitution in Pd-catalyzed cross-coupling reactions of 3,6-dichloropyridazine with organozinc compounds. Tetrahedron Lett. 2005, 46 (8), 1303-1305.
	Sirois, S.; Hatzakis, G.; Wei, D.; Du, Q.; Chou, K. C.; Assessment of chemical libraries for their druggability. Comput. Biol. Chem. 2005, 29 (1), 55-67.
	Yarrow, J. C.; Totsukawa, G.; Charras, G. T.; Mitchison, T. J.; Screening for cell migration inhibitors via automated microscopy reveals a Rho-kinase inhibitor. Chem. Biol. 2005, 12 (3), 385-395.
	Hasenbrink, G.; Schwarzer, S.; Kolacna, L.; Ludwing, J.; Sychrova, H.; Lichtenberg-Fraté, H.; Analysis of the mKir2.1 channel activity in potassium influx defective Saccharomyces cerevisiae strains determined as changes in growth characteristics. FEBS Lett. 2005, 579 (7), 1723-1731.
	Berezkin, V. G.; Lapin, A. B.; Ultra-short open capillary columns in gas-liquid chromatography. J. Chromatogr. A. 2005, 1075 (1-2), 197-203.
	Kim, Y. H.; Shin, K. J.; Lee, T. G.; Kim, E.; Lee, M. S.; Ryu, S. H.; Suh, P. G.; G2 arrest and apoptosis by 2-amino-N-quinoline-8-yl-benzenesulfonamide (QBS), a novel cytotoxic compound. Biochem. Pharmacol. 2005, 69 (9), 1333-1341.
	Nieland, T. J.; Ehrlich, M.; Krieger, M.; Kirchhausen, T.; Endocytosis is not required for the selective lipid uptake mediated by murine SR-BI. Biochim. Biophys. Acta. 2005, 1734 (1), 44-51.
	Webb, T. R.; Current directions in the evolution of compound libraries. Curr. Opin. Drug Discov. Devel. 2005, 8 (3), 303-308.
	Dorer, R. K.; Zhong, S.; Tallarico, J. A.; Wong, W. H.; Mitchison, T. J.; Murray, A. W.; A small-molecule inhibitor of Mps1 blocks the spindle-checkpoint response to a lack of tension on mitotic chromosomes. Curr. Biol. 2005, 15 (11), 1070-1076.
	Zhu, T.; Yan, Z.; Chucholowski, A.; Li, R.; Polymer-supported synthesis of bicyclic gamma-lactams. J. Comb. Chem. 2005, 7 (4), 520-522.
	Monneret, C.; Histone deacetylase inhibitors. Euro. J. Med. Chem. 2005, 40 (1), 1-13.
	Gurskii, M. E.; Karionova, A. L.; Ignatenko, A. V.; Lyssenko, K. A.; Antipin, M. Y.; Bubnov, Y. N.; The first preparation of (1S,5R)-(-)- and (1R,5S)-(+)-7-phenyl-3-borabicyclo[3.3.1]non-6-enes and their application for synthesis of chiral cyclohexene derivatives. J. Organo. Chem. 2005, 690 (11), 2840-2846.
	Novellino, E.; Cosimelli, B.; Ehlardo, M.; Greco, G.; Iadanza, M.; Lavecchia, A.; Rimoli, M. G.; Sala, A.; Da Settimo, A.; Primofiore, G.; Da Settimo, F.; Taliani, S.; La Motta, C.; Klotz, K. N.; Tuscano, D.; Trincavelli, M. L.; Martini, C.; 2-(Benzimidazol-2-yl)quinoxalines: a novel class of selective antagonists at human A(1) and A(3) adenosine receptors designed by 3D database searching. J. Med. Chem. 2005, 48 (26), 8253-8260.
	Napper, A. D.; Hixon, J.; McDonagh, T.; Keavey, K.; Pons, J.; Barker, J.; Yau, W. T.; Amouzegh, P.; Flegg, A.; Hamelin, E.; Thomas, R. J.; Kates, M.; Jones, S.; Navia, M. A.; Saunders, J. O.; DiStefano, P. S.; Curtis, R.; Discovery of Indoles as Potent and Selective Inhibitors of the Deacetylase SIRT1. J. Med. Chem. 2005, 48 (25), 8045-8054.
	Brahmachary, E.; Enantioselective Synthesis of β-Amino Acids. J. Am. Chem. Soc. 2005, 127 (42), 14951.
	Macias, A. T.; Mia, Y.; Xia, G.; Hayashi, J.; MacKerell, D., Jr.; Lead Validation and SAR Development via Chemical Similarity Searching; Application to Compounds Targeting the pY+3 Site of the SH2 Domain of p56lck. J. Chem. Inf. Model. 2005, 45 (6), 1759-1766.
	Klekota, J.; Brauner, E.; Schreiber, S. L.; Identifying Biologically Active Compound Classes Using Phenotypic Screening Data and Sampling Statistics. J. Chem. Inf. Model. 2005, 45 (6), 1824-1836.
	Miteva, M. A.; Lee, W. H.; Montes, M. O.; Villoutreix, B. O.; Fast structure-based virtual ligand screening combining FRED, DOCK, and Surflex. J. Med. Chem. 2005, 48 (19), 6012-6022.
	Teng, X.; Degterev, A.; Jagtap, P.; Xing, X.; Choi, S.; Denu, R.; Yuan, J.; Cuny, G. D.; Structure-activity relationship study of novel necroptosis inhibitors. Bioorg. Med. Chem. Lett. 2005, 15 (22), 5039-5044.
	Kim, M.; Wessely, V.; Lan, Q.; Identification of mosquito sterol carrier protein-2 inhibitors. J. Lipid Res. 2005, 46, 650-657.
	Kang, M.; Lisk, G.; Hollingworth, S.; Baylor, S. M.; Desai, S. A.; Malaria Parasites Are Rapidly Killed by Dantrolene Derivatives Specific for the Plasmodial Surface Anion Channel. Mol. Pharmacol. 2005, 68, 34-40.
	Zhaoa, Q.; Maa, L.; Jiangb, S.; Lub, H.; Liub, S.; Heb, Y.; Strickc, N.; Neamatid, N.; Debnatha, A. K.; Identification of N-phenyl-N'-(2,2,6,6-tetramethyl-piperidin-4-yl)-oxalamides as a new class of HIV-1 entry inhibitors that prevent gp120 binding to CD4. Virology 2005, 339 (2), 213-225.
	Stern, H. M.; Murphey, R. D.; Shepard, J. L.; Amatruda, J. F.; Straub, C. T.; Pfaff, K. L.; Weber, G.; Tallarico, J. A.; King, R. W.; Zon, L. I.; Small molecules that delay S phase suppress a zebrafish bmyb mutant. Nature Chem. Bio. 2005, 1 (7), 366-370.
	Gilmour, R.; Foster, J. E.; Sheng, Q.; McClain, J. R.; Riley, A.; Sun, P.; Ng, W.; Yan, D.; Nicas, T. I.; Henry, K.; Winkler, M. E.; New Class of Competitive Inhibitor of Bacterial Histidine Kinases. J. of Bacteriology 2005, 187 (23), 8196-8200.
	Gurova, K. V.; Hill, J. E.; Guo, C.; Prokvolit, A.; Burdelya, L. G.; Samoylova, E.; Khodyakova, A. V.; Ganapathi, R.; Ganapathi, M.; Tararova, N. D.; Bosykh, D.; Lvovskiy, D.; Webb, T. R.; Stark, G. R.; Gudkov, A. V.; Small molecules that reactivate p53 in renal cell carcinoma reveal a NF-kB-dependent mechanism of p53 suppression in tumors. PNAS 2005, 102 (48), 17448-17453.
	Kang, S.; Li, H.; Rao, A.; Hogan, P. G.; Inhibition of the Calcineurin-NFAT Interaction by Small Organic Molecules Reflects Binding at an Allosteric Site. J. of Biological Chemistry 2005, 280 (45), 37698-37706.
	Hung, D. T.; Shakhnovich, E. A.; Pierson, E.; Mekalanos, J. J.; Small-Molecule Inhibitor of Vibrio Cholerae Virulence and Intestinal Colonization. Science 2005, 310, 670-674.
	Bertsch, U.; Winklhofer, K. F.; Hirschberger, T.; Bieschke, J.; Weber, P.; Hartl, F. U.; Tavan, P.; Tatzelt, J.; Kretzschmar, H. A.; Giese, A.; Systematic Identification of Antiprion Drugs by High-Throughput Screening Based on Scanning for Intensely Fluorescent Targets. J. of Virology 2005, 79 (12), 7785-7791.
	Zhang, X.; Smith, D. L.; Meriin, A. B.; Engemann, S.; Russel, D. E.; Roark, M.; Washington, S. L.; Maxwell, M. M.; Marsh, J. L.; Thompson, L. M.; Wanker, E. E.; Young, A. B.; Housman, D. E.; Bates, G. P.; Sherman, M. Y.; Kazantsev, A. G.; A potent small molecule inhibits polyglutamine aggregation in Huntington's disease neurons and suppresses neurodegeneration in vivo. PNAS 2005, 102 (3), 892-897.
	Ason, B.; Knauss, D. J.; Balke, A. M.; Merkel, G.; Skalka, A.; Reznikoff, W. S.; Targeting Tn5 Transposase Identifies Human Immunodeficiency Virus Type 1 Inhibitors. Antimicrobial Agents and Chemotherapy 2005, 49 (5), 2035-2043.
	Surpin, M.; Rojas-Pierce, M.; Carter, C.; Hicks, G. R.; Vasquez, J.; Raikhel, N. V.; The power of chemical genomics to study the link between endomembrane system components and the gravitropic response. PNAS 2005, 102 (13), 4902-4907.
	Huynh, C.; Andrews, N. W.; The small chemical vacuolin-1 alters the morphology of lysomes without inhibiting Ca²+-regulated exocytosis. EMBO 2005, 6 (9), 843-847.
	Dai, X.; Hayashi, K.; Nozaki, H.; Cheng, Y.; Zhao, Y.; Genetic and chemical analyses of the action mechanisms of sirtinol in Arabidopsis. PNAS 2005, 102 (8), 3129-3134.
	Degterev, A.; Huang, Z.; Boyce, M.; Li, Y.; Jagtap, P.; Mizushima, N.; Cuny, G. D.; Mitchison, T. J.; Moskowitz, M. A.; Yuan, J.; Chemical inhibitor of nonapoptotic cell death with therapeutic potential for ischemic brain injury. Nature Chem. Bio. 2005, 1 (2), 112-119.
	Boyce, M.; Bryant, K. F.; Jousse, C.; Long, K.; Harding, H. P.; Scheuner, D.; Kaufman, R. J.; Ma, D.; Coen, D. M.; Ron, D.; Yuan, J; A Selective Inhibitor of eIF2α Dephosphorylation Protects Cells from ER Stress. Science 2005, 307, 935-939.
	Zon, L. I.; Peterson, R. T.; In Vivo Drug Discovery in the Zebrafish. Nature Reviews Drug Discovery 2005, 4, 35-44.

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2004 Publications +/-

	Wang, W.; El-Deiry, W. S.; Targeting FOXO kills two birds with one stone. Chem. Biol. 2004, 11 (1), 16-18.
	Talaga, P.; Compound decomposition: a new drug discovery tool? Drug Discov. Today. 2004, 9 (2), 51-53.
	Thiagarajah, J. R.; Broadbent, T.; Hsieh, E.; Verkman, A. S.; Prevention of toxin-induced intestinal ion and fluid secretion by a small-molecule CFTR inhibitor. Gastroenterology. 2004, 126 (2), 511-519.
	Tandel, S.; Bliznets, I.; Ebinger, K.; Ma, Y.; Bhumralkar, D.; Thiruvazhi, M.; One-pot syntheses of 6-mercaptopurines (6MP) from 4,5-diamino-6-chloro-pyrimidines. Tetrahedron Lett. 2004, 45 (11), 2321-2322.
	Brower, V.; Going global in R&D. EMBO Rep. 2004, 5 (4), 333-335.
	Pilger, B. D.; Cui, C.; Coen, D. M.; Identification of a small molecule that inhibits herpes simplex virus DNA Polymerase subunit interactions and viral replication. Chem. Biol. 2004, 11 (5), 647-654.
	Takami, A.; Iwakubo, M.; Okada, Y.; Kawata, T.; Odai, H.; Takahashi, N.; Shindo, K.; Kimura, K.; Tagami, Y.; Miyake, M.; Fukushima, K.; Inagaki, M.; Amano, M.; Kaibuchi, K.; Iijima, H.; Design and synthesis of Rho kinase inhibitors (I). Bioorg. Med. Chem. 2004, 12 (9), 2115-2137.
	Ortholand, J. Y.; Ganesan, A.; Natural products and combinatorial chemistry: back to the future. Curr. Opin. Chem. Biol. 2004, 8 (3), 271-280.
	Hayakawa, I.; Shioya, R.; Agatsuma, T.; Furukawa, H.; Sugano, Y.; Thienopyridine and benzofuran derivatives as potent anti-tumor agents possessing different structure-activity relationships. Bioorg. Med. Chem. Lett. 2004, 14 (13), 3411-3414.
	Shafizadeh, E.; Peterson, R. T.; Lin, S.; Induction of reversible hemolytic anemia in living zebrafish using a novel small molecule. Comp. Biochem. Physiol. C Toxicol. Pharmacol. 2004, 138 (3), 245-249.
	Clark, D. E.; Newton, C. G.; Outsourcing lead optimisation - the quiet revolution. J. Org. Chem. 2004, 9 (11), 492-500.
	Khasanov, A. B.; Ramirez-Weinhouse, M. M.; Webb, T. R.; Thiruvazhi, M.; Novel asymmetric approach to proline-derived spiro-beta-lactams. J. Org. Chem. 2004, 69 (17), 5766-5769.
	Simms, P. J.; Jeffries, C. T.; Zhao, X.; Huang, Y.; Arrhenius, T.; Gradient elution of organic acids on a beta-cyclodextrin column in the polar organic mode and its application to drug discovery. J. Chromatogr. A. 2004, 1052 (1-2), 69-75.
	Bliznets, I. V.; Shorshnev, S. V.; Aleksandrov, G. G.; Stepanov, A. E.; Lukyanov, S. M.; Synthesis of a new tricyclic 3-(tetrazol-5-yl)pyridine system from 2-(azidomethyl)nicotinonitriles. Tetrahedron Lett. 2004, 45 (49), 9127-9130.
	Lunn, M. R.; Root, D. E.; Martino, A. M.; Kelley, B. P.; Coovert, D. D.; Burghes, A. H.; Man, N. T.; Morris, G. E.; Zhou, J.; Androphy, E. J.; Sumner, C. J.; Stockwell, B. R.; Indoprofen upregulates the survival motor neuron protein through a cyclooxygenase-independent mechanism. Chem. Biol. 2004, 11 (11), 1489-1493.
	Kelley, B. P.; Lunn, M. R.; Root, D. E.; Flaherty, S. P.; Martino, A. M.; Stockwell, B. R.; A Flexible Data Analysis Tool for Chemical Genetic Screens. Chem. Biol. 2004, 11 (11), 1495-1503.
	Chirskaya, M. V.; Vasil’ev, A. A.; Sergovskaya, N. L.; Shorshnev, S. V.; Sviridov, S. I.; A convenient synthesis of substituted 3-bromotetrahydrofurans from homoallylic alcohols. Tetrahedron Lett. 2004, 45 (48), 8811-8813.
	Oh, M.; Im, I.; Lee, Y. J.; Kim, Y. H.; Yoon, J. H.; Park, H. G.; Higashiyama, S.; Kim, Y.; Park, W. J.; Structure-based virtual screening and biological evaluation of potent and selective ADAM12 inhibitors. Bioorg. Med. Chem. Lett. 2004, 14 (24), 6071-6074.
	O'Neill, J.; Manion, M.; Schwartz, P.; Hockenbery, D. M.; Promises and challenges of targeting Bcl-2 anti-apoptotic proteins for cancer therapy. Biochim. Biophys. Acta. 2004, 1705 (1), 43-51.
	Kao, R. Y.; To, A. P. C.; Ng, L. W. Y.; Tsui, W. H. W.; Lee, T. S. W.; Tsoi, H.; Yuen, K.; Characterization of SARS-CoV main protease and identification of biologically active small molecule inhibitors using a continuous fluorescence-based assay. FEBS Lett. 2004, 576 (3), 325-330.
	Cechetto, J. D.; Elowe, N. H.; Blanchard, J. E.; Brown, E. D.; High-throughput screening at McMaster University: automation in academe. J. Assoc. Lab. Automat. 2004, 9 (5), 307-311.
	Kemnitzer, W.; Drewe, J.; Jiang, S.; Zhang, H.; Wang, Y.; Zhao, J.; Jia, S.; Herich, J.; Labreque, D.; Storer, R.; Meerovitch, K.; Bouffard, D.; Rej, R.; Denis, R.; Blais, C.; Lamothe, S.; Attardo, G.; Gourdeau, H.; Tseng, B.; Kasibhatla, S.; Cai, S. X.; Discovery of 4-aryl-4H-chromenes as a new series of apoptosis inducers using a cell- and caspase-based high-throughput screening assay. 1. Structure-activity relationships of the 4-aryl group. J. Med. Chem. 2004, 47 (25), 6299-6310.
	Markowitz, J.; Chen, I.; Gitti, R.; Baldisseri, D. M.; Pan, Y.; Udan, R.; Carrier, F.; MacKerell, Jr., A. D.; Weber, D. J.; Identification and Characterization of Small Molecule Inhibitors of the Calcium-Dependent S100B-p53 Tumor Suppressor Interaction. J. Med. Chem. 2004, 47 (21), 5085-5093.
	Clark, D. E.; Higgs, C.; Wren, S. P.; Dyke, H. J.; Wong, M.; Norman, D.; Lockey, P. M.; Roach, A. G.; A Virtual Screening Approach to Finding Novel and Potent Antagonists at the Melanin-Concentrating Hormone 1 Receptor. J. Med. Chem. 2004, 47 (16), 3962-3971.
	Young, M. B.; Barrow, J. C.; Glass, K. L.; Lundell, G. F.; Newton, C. L.; Pellicore, J. M.; Rittle, K. E.; Selnick, H. G.; Stauffer, K. J.; Vacca, J. P.; Williams, P. D.; Bohn, D.; Clayton, F. C.; Cook, J. J.; Krueger, J. A.; Kuo, L. C.; Lewis, S. D.; Lucas, B. J.; McMasters, D. R.; Miller-Stein, C.; Pietrak, B. L.; Wallace, A. A.; White, R. B.; Wong, B.; Yan, Y.; Nantermet, P. G.; Discovery and Evaluation of Potent P1 Aryl Heterocycle-Based Thrombin Inhibitors. J. Med. Chem. 2004, 47 (12), 2995-3008.
	Sirois, S.; Wei, D.; Du, Q.; Chou, K.; Virtual Screening for SARS-CoV Protease Based on KZ7088 Pharmacophore Points. J. Chem. Inf. Comput. Sci. 2004, 44 (3), 1111-1122.
	Lawrence, D. S.; Copper, J. E.; Smith, C. D.; Structure-Activity Studies of Substituted Quinoxalinones as Multiple-Drug-Resistance Antagonists. J. Med. Chem. 2004, 44 (4), 594-601.
	Ye, Q.; Xie, S.; Huang, M.; Huang, W.; Lu, J.; Ma, Z.; Metalloform-Selective Inhibitors of Escherichia coli Methionine Aminopeptidase and X-ray Structure of a Mn(II)-Form Enzyme Complexed with an Inhibitor. J. Am. Chem. Soc. 2004, 126 (43), 13940-13941.
	French, K. J.; Zhuang, Y.; Schrecengost, R. S.; Copper, J. E.; Xia, Z.; Smith, C. D.; Cyclohexyl-octahydro-pyrrolo[1,2-a]pyrazine-Based Inhibitors of Human N-Myristoyltransferase-1. J. of Pharma. Exp. Therap. 2004, 309 (1), 340-347.
	Im, I.; Webb, T. R.; Gong, Y.; Kim, J.; Kim, Y.; Solid-Phase Synthesis of Tetrahydro-1,4-benzodiazepine-2-one Derivatives as a beta-Turn Peptidomimetic Library. J. Comb. Chem. 2004, 6, 207-213.
	Zaks-Makhina, E.; Kim, Y.; Aizenman, E.; Levitan, E. S.; Novel Neuroprotective K+ Channel Inhibitor Identified by High-Throughput Screening in Yeast. Mol. Pharmacol. 2004, 65, 214-219.
	Wu, S.; Zhu, H.; Gu, J.; Zhang, L.; Teraishi, F.; Davis, J. J.; Jacob, D. A.; Fang, B.; Induction of Apoptosis and Down-Regulation of Bcl-XL in Cancer Cells by a Novel Small Molecule, 2[[3-(2,3-Dichlorophenoxy)propyl]amino]ethanol. Cancer Res. 2004, 64, 1110-1113.
	Zhu, H.; Zhang, L.; Wu, S.; Teraishi, F.; Davis, J. J.; Jacob, D.; Fang, B.; Induction of S-phase arrest and p21 overexpression by a small molecule 2[[3-(2,3-dichlorophenoxy)propyl] amino]ethanol in correlation with activation of ERK. Oncogene 2004, 23, 4984-4992.
	Peterson, J. R.; Bickford, L. C.; Morgan, D.; Kim, A. S.; Ouerfelli, O.; Kirschner, M. W.; Rosen, M. K.; Chemical inhibition of N-WASP by stabilization of a native autoinhibited conformation. Nat. Struct. Mol. Biol. 2004, 11 (8), 747-755.
	Jiang, S.; Lu, H.; Liu, S.; Zhao, Q.; He, Y.; Debnath, A. K.; N-Substituted Pyrrole Derivatives as Novel Human Immunodeficiency Virus Type 1 Entry Inhibitors That Interfere with the gp41 Six-Helix Bundle Formation and Block Virus Fusion. Antimicrobial Agents and Chemotherapy 2004, 48 (11), 4349-4359.
	Desai, P. V.; Patny, A.; Sabnis, Y.; Tekwani, B.; Gut, J.; Rosenthal, P.; Srivastava, A.; Avery, M.; Identification of Novel Parasitic Cysteine Protease Inhibitors Using Virtual Screening. 1. The ChemBridge Database. Journal of Medicinal Chemistry 2004, 47 (26), 6609-6615.
	Fiebiger, E.; Hirsch, C.; Vyas, J. M.; Gordon, E.; Ploegh, H. L.; Tortorella, D.; Dissection of the Dislocation Pathway for Type I Membrane Proteins with a New Small Molecule Inhibitor, Eeyarestatin. Molecular Biology of the Cell 2004, 15, 1635-1646.
	Harrison, B. C.; Roberts, C. R.; Hood, D. B.; Sweeney, M.; Gould, J. M.; Bush, E. W.; McKinsey, T. A.; The CRM1 Nuclear Export Receptor Controls Pathological Cardiac Gene Expression. Molecular and Cellular Biology 2004, 24 (24), 10636-10649.
	Min, D.; Tan, W.; Mrksich, M.; Chemical Screening by mass spectrometry to identify inhibitors of anthrax lethal factor. Nature Biotechnology 2004, 22 (6), 717-723.
	Margolis, J.; Plowman, G. D.; Overcoming the gridlock in discovery research. Nature Biotechnology 2004, 22 (5), 522-524.
	Peterson, R.T.; Shaw, S. Y.; Peterson, T. A.; Milan, D. J.; Zhong, T. P.; Schreiber, S. L.; MacRae, C. A.; Fishman, M. C.; Chemical suppression of a genetic mutation in a zebrafish model of aortic coarctation. Nature Biotechnology 2004, 22 (5), 595-599.
	Kao, R. Y.; Tsui, W. H.W.; Lee, T. S.W.; Tanner, J. A.; Watt, R. M.; Huang, J.; Hu, L.; Chen, G.; Chen, Z.; Zhang, L.; He, T.; Chan, K.; Tse, H.; To, A. P.C.; Ng, L. W.Y.; Wong, B. C.W.; Tsoi, H.; Yang, D.; Ho, D. D.; Yuen, K.; Identification of Novel Small-Molecule Inhibitors of Severe Acute Respiratory Syndrome-Associated Coronavirus by Chemical Genetics. Chemistry & Biology 2004, 11, 1293-1299.
	Lee, Y.; Bergson, P.; He, W. S.; Mrksich, M.; Tang, W.; Discovery of a Small Molecule that Inhibits the Interaction of Anthrax Edema Factor with Its Cellular Activator, Calmodulin. Chemistry & Biology 2004, 11, 1139-1146.
	Armstrong, J. I.; Yuan, S.; Dale, J. M.; Tanner, V. N.; Theologis, A.; Identification of inhibitors of auxin transcriptional activation by means of chemical genetics in Arabidopsis. PNAS 2004, 101 (41), 14978-14983.
	Margalit, D. N.; Romberg, L.; Mets, R. B.; Hebert, A. M.; Mitchison, T. J.; Kirschner, M. W.; RayChaudhuri, D.; Targeting cell division: Small-molecule inhibitors of FtsZ GTPase perturb cytokinetic ring assembly and induce bacterial lethality. PNAS 2004, 101 (32), 11821-11826.
	Nieland, T. J. F.; Feng, Y.; Brown, J. X.; Chuang, T. D.; Buckett, P. D.; Wang, J.; Xie, X.; McGraw, T. E.; Kirchhausen, T.; Wessling-Resnick, M.; Chemical Genetic Screening Identifies Sulfonamides That Raise Organellar pH and Interfere with Membrane Traffic. Traffic 2004, 5, 478-492.
	Won, J.; Chang, S.; Oh, S.; Kim, T. K.; Small-molecule-based identification of dynamic assembly of E2F-pocket protein-histone deacetylase complex for telomerase regulation in human cells. PNAS 2004, 101 (31), 11328-11333.
	Soltero-Higgin, M.; Carlson, E. E.; Phillips, J. H.; Kiessling, L. L.; Identification of Inhibitors for UDP-Galactopyranose Mutase. J. Am. Chem. Soc. 2004, 126, 10532-10533. For correction go to J. Am. Chem. Soc. 2004, 126, 15924.
	Venkatesh, N.; Feng, Y.; DeDecker, B.; Yacono, P.; Golan, D.; Mitchison, T.; McKeon, F.; Chemical genetics to identify NFAT inhibitors: Potential of targeting calcium mobilization in immunosuppression. PNAS 2004, 101 (24), 8969-8974.
	Cerny, J.; Feng, Y.; Yu, A.; Miyake, K.; Borgonovo, B.; Klumperman, J.; Meldolesi, J.; McNeil, P. L.; Kirchhausen, T.; The small chemical vacuolin-1 inhibits Ca²+-dependent lysosomal exocytosis but not cell resealing. EMBO 2004, 5 (9), 883-888.
	Cheng, D.; Yadav, N.; King, R. W.; Swanson, M. S.; Weinstein, E. J.; Bedford, M. T.; Small Molecule Regulators of Protein Arginine Methyltransferases. Journal of Biological Chemistry 2004, 279 (23), 23892-23899.
	Nieland, T. J. F.; Chroni, A.; Fitzgerald, M. L.; Maliga, Z.; Zannis, V. I. Kirchhausen, T.; Krieger, M.; Cross-inhibition of SR-BI- and ABCA1-mediated cholesterol transport by the small molecules BLT-4 and glyburide. J. of Lipid Research 2004, 45, 1256-1265.
	Zouhar, J.; Hicks, G. R.; Raikhel, N. V.; Sorting inhibitors (Sortins): Chemical compounds to study vacuolar sorting in Arabidopsis. PNAS 2004, 101 (25), 9497-9501.
	Bush, E.; Fielitz, J.; Melvin, L.; Martinez-Arnold, M.; McKinsey, T. A.; Plichta, R.; Olson, E. N.; A small molecular activator of cardiac hypertrophy uncovered in a chemical screen for modifiers of the calcineurin signaling pathway. PNAS 2004, 101, 2870-2875.
	Baurin, N.; Baker, R.; Richardson, C.; Chen, I.; Foloppe, N.; Potter, A.; Jordan, A.; Roughley, S.; Parratt, M.; Greaney, P.; Morley, D.; Hubbard, R.E.; Drug-like Annotation and Duplicate Analysis of a 23-Supplier Chemical Database Totalling 2.7 Million Compounds. J. Chem. Inf. Comput. Sci. 2004, 44, 643-651.

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2003 Publications +/-

	Lokey, R. S.; Forward chemical genetics: progress and obstacles on the path to a new pharmacopoeia. Curr. Opin. Chem. Biol. 2003, 7 (1), 91-96.
	Root, D. E.; Flaherty, S. P.; Kelley, B. P.; Stockwell, B. R.; Biological mechanism profiling using an annotated compound library. Chem. Biol. 2003, 10 (9), 881-892.
	Haggarty, S. J.; Koeller, K. M.; Kau, T. R.; Silver, P. A.; Roberge, M.; Schreiber, S. L.; Small molecule modulation of the human chromatid decatenation checkpoint. Chem. Biol. 2003, 10 (12), 1267-1279.
	Kitada, S.; Leone, M.; Sareth, S.; Zhai, D.; Reed, J. C.; Pellecchia, M.; Discovery, characterization, and structure-activity relationships studies of proapoptotic polyphenols targeting B-cell lymphocyte/leukemia-2 proteins. J. Med. Chem. 2003, 46 (20), 4259-4264.
	Haggarty, S. J.; Clemons, P. A.; Schreiber, S. L.; Chemical genomic profiling of biological networks using graph theory and combinations of small molecule perturbations. J. Am. Chem. Soc. 2003, 125 (35), 10543-10545.
	Mestres, J.; Veeneman, G. H.; Identification of "Latent Hits" in Compound Screening Collections. J. Med. Chem. 2003, 46 (16), 3441-3444.
	Lagunin, A. A.; Gomazkov, O. A.; Filimonov, D. A.; Gureeva, T. A.; Dilakyan, E. A.; Kugaevskaya, E. V.; Elisseeva, Y. E.; Solovyeva, N. I.; Poroikov, V. V.; Computer-Aided Selection of Potential Antihypertensive Compounds with Dual Mechanism of Action. J. Med. Chem. 2003, 46 (15), 3326-3332.
	van Rhee, A. M.; Use of recursion forests in the sequential screening process: consensus selection by multiple recursion trees. J. Chem. Inf. Comput. Sci. 2003, 43 (3), 941-948.
	Cai, S. X.; Ngyuen, B.; Jia, S.; Herich, J.; Guastella, J.; Reddy, S.; Tseng, B.; Drewe, J.; Kasibhatla, S.; Discovery of substituted N-phenyl nicotinamides as potent inducers of apoptosis using a cell- and caspase-based high throughput screening assay. J. Med. Chem. 2003, 46 (12), 2474-2481.
	Feher, M.; Schmidt, J. M.; Property distributions: differences between drugs, natural products, and molecules from combinatorial chemistry. J. Chem. Inf. Comput. Sci. 2003, 43 (1), 218-227.
	Kauppi, A. M.; Nordfelth, R.; Uvell, H.; Wolf-Watz, H.; Elofsson, M.; Targeting Bacterial Virulence: Inhibitors of Type III Secretion in Yersinia. Chem. & Bio. 2003, 10 (3), 241-249.
	Chianelli, D.; Kim, Y.; Lvovskiy, D.; Webb, T. R.; Application of a Novel Design Paradigm to Generate General Nonpeptide Combinatorial Scaffolds Mimicking Beta Turns: Synthesis of Ligands for Somatostatin Receptors. Bioorg. & Med. Chem. 2003, 11 (23), 5059-5068.
	Kau, T. R.; Schroeder, F.; Ramaswamy, S.; Wojciechowski, C. L.; Zhao, J. J.; Roberts, T. M.; Clardy, J.; Sellers, W. R.; Silver, P. A.; A chemical genetic screen identifies inhibitors of regulated nuclear export of a Forkhead transcription factor in PTEN-deficient tumor cells. Cancer Cell 2003, 4, 463-476.
	Fulco, M.; Schlitz, R. L.; Iezzi, S.; King, M. T.; Zhao, P.; Kashiwaya, Y.; Hoffman, E.; Veech, R. L.; Sartorelli, V.; Sir2 Regulates Skeletal Muscle Differentiation as a Potential Sensor of the Redox State. Molecular Cell 2003, 12, 51-62.
	Koeller, K. M.; Haggarty, S. J.; Perkins, B. D.; Leykin, I.; Wong, J. C.; Ming-Chih, J. K.; Schreiber, S. L.; Chemical Genetic Modifier Screens: Small Molecule Trichostatin Suppressors as Probes of Intracellular Histone and Tubulin Acetylation. Chemistry & Biology 2003, 10, 397-410.
	French, K.J.; Schrecengost, R.S.; Lee, B.D.; Zhuang, Y.; Smith, S.N.; Eberly, J.L.; Yun, J.K.; Smith, C.D.; Discovery and Evaluation of Inhibitors of Human Sphingosine Kinase. Cancer Research 2003, 63, 5962-5969.
	Jenkins, J. L.; Shapiro, R.; Identification of Small-Molecule Inhibitors of Human Angiogenin and Characterization of Their Binding Interactions Guided by Computational Docking. Biochemistry 2003, 42, 6674-6687.
	Yin, X.; Giap, C.; Lazo, J. S.; Prochownik, E. V.; Low molecular weight inhibitors of Myc-Max interaction and function. Oncogene 2003, 22, 6151-6159.
	Bae, Y.; Lee, T. G.; Park, J. C.; Hur, J. H.; Kim, Y.; Heo, K.; Kwak, J.; Suh, P.; Ryu, S. H.; Identification of a Compound That Directly Stimulates Phospholipase C Activity. Molecular Pharmacology 2003, 63, 1043-1050.
	Feng, Y.; Yu, S.; Lasell, T. K. R.; Jadhav, A. P.; Macia, E.; Chardin, P.; Melancon, P.; Roth, M.; Mitchison, T.; Kirchhausen, T.; Exo1: A new chemical inhibitor of the exocytic pathway. PNAS 2003, 100 (11), 6469-6474.
	Windsor, B.; Roux, S. J.; Lloyd, A.; Multiherbicide tolerance conferred by AtPgp1 and apyrase overexpression in Arabidopsis thaliana. Nature Biotechnology 2003, 21, 428-433.
	Webb, T. R.; Lvovskiy, D.; Kim, S. A.; Ji, X.; Melman, N.; Linden, J.; Jacobson, K. A.; Quinazolines as Adenosine Receptor Antagonists: SAR and Selectivity for A(2B) Receptors. Bioorganic & Medicinal Chemistry 2003, 11 (1), 77-85.
	Jenkins, J. L.; Kao, R. Y.; Shapiro, R.; Virtual Screening to Enrich Hit Lists from High-Throughput Screening: A Case Study on Small-Molecule Inhibitors of Angiogenin. Proteins: Structure, Function, and Genetics 2003, 50 (1), 81-93.

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2002 Publications +/-

	Kim, H. J.; Lee, H. H.; Yoo, H. D.; Hwa Lee, J.; Hong, S. T.; Development of a solid-phase binding assay and identification of nonpeptide ligands for the FynB Src homology 2 domain. J. Pharm. Biomed. Anal. 2002, 27 (1-2), 51-56.
	Lesiv, A. V.; Ioffe, S. L.; Strelenko, Y. A.; Bliznets, I. V.; Tartakovsky, V. A.; Reactions of N,N-bis(siloxy)enamines with trimethylsilyl cyanide: aliphatic nitro compounds as convenient precursors of 5-aminoisoxazoles. Mendeleev Comm. 2002, 12 (3), 99-102.
	Toogood, P. L.; Inhibition of protein-protein association by small molecules: approaches and progress. J. Med. Chem. 2002, 45 (8), 1543-1558.
	Raymond, J. W.; Gardiner, E. J.; Willett, P.; Heuristics for similarity searching of chemical graphs using a maximum common edge subgraph algorithm. J. Chem. Inf. Comput. Sci. 2002, 42 (2), 305-316.
	Lugovskoy, A. A.; Degterev, A. I.; Fahmy, A. F.; Zhou, P.; Gross, J. D.; Yuan, J.; Wagner, G.; A novel approach for characterizing protein ligand complexes: molecular basis for specificity of small-molecule Bcl-2 inhibitors. J. Am. Chem. Soc. 2002, 124 (7), 1234-1240.
	Ma, T.; Thiagarajah, J. R.; Yang, H.; Sonawane, N. D.; Folli, C.; Galietta, L. J. V.; Verkman, A. S.; Thiazolidinone CFTR inhibitor identified by high-throughput screening blocks cholera toxin-induced intestinal fluid secretion. The Journal of Clinical Investigation 2002, 110 (11), 1651-1658.
	Nieland, T. J. F.; Penman, M.; Dori, L.; Krieger, M.; Kirchhausen, T.; Discovery of chemical inhibitors of the selective transfer of lipids mediated by the HDL receptor SR-BI. PNAS 2002, 99 (24), 15422-15427.
	Windsor, J. B.; Thomas, C.; Hurley, L.; Roux, S.J.; Lloyd, A.M.; Automated Colorimetric Screen for Apyrase Inhibitors. BioTechniques 2002, 33, 1024-1030.
	Chen, J. K.; Taipale, J.; Young, K. E.; Maiti, T.; Beachy, P. A.; Small molecule modulation of Smoothened activity. PNAS 2002, 99 (22), 14071-14076.
	Ma, T.; Vetrivel, L.; Yang, H.; Pedemonte, N.; Zegarra-Moran, O.; Galietta, L. J. V.; Verkman, A. S.; High-affinity Activators of Cystic Fibrosis Transmembrane Conductance Regulator (CFTR) Chloride Conductance Identified by High-throughput Screening. The Journal of Biological Chemistry 2002, 277 (40), 37235-37241.
	Kao, R. Y. T.; Jenkins, J. L.; Olson, K. A.; Key, M. E.; Fett, J. W.; Shapiro, R.; A small-molecule inhibitor of the ribonucleolytic activity of human angiogenin that possesses antitumor activity. PNAS 2002, 99 (15), 10066-71.
	Sohn, T. A.; Bansal, R.; Su, G. H.; Murphy, K. M.; Kern, S. E.; High-throughput measurement of the Tp53 response to anticancer drugs and random compounds using a stably integrated Tp53-responsive luciferase reporter. Carcinogenesis 2002, 23 (6), 949-957.
	Cheung, A.; Dantzig, J. A.; Hollingworth, S.; Baylor, S. M.; Goldman, Y.E.; Mitchison, T. J.; Straight, A. F. A small-molecule inhibitor of skeletal muscle myosin II. Nature Cell Biology 2002, 4, 83-84.

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2001 Publications +/-

	Golebiowski, A.; Klopfenstein, S. R.; Portlock, D. E.; Lead compounds discovered from libraries. Curr. Opin. Chem. Biol. 2001, 5 (3), 273-284
	MacBeath, G.; Chemical genomics: what will it take and who gets to play? Genome Biol. 2001, 2 (6).
	Azev, Y. A.; Shorshnev, S. V.; Gabel, D.; Stable σ-adducts of 5-azauracil with C-nucleophiles. Mendeleev Comm. 2001, 11 (6), 234-235.
	Castanedo, G. M.; Sutherlin, D. P.; Synthesis of tetrasubstituted thiophenes on solid-support using the Gewald reaction. Tetrahedron Lett. 2001, 42 (41), 7181-7184.
	Kondratov, R. V.; Komarov, P. G.; Becker, Y.; Ewenson, A.; Gudkov, A. Small molecules that dramatically alter multidrug resistance phenotype by modulating the substrate specificity of P-glycoprotein. PNAS 2001, 98 (24), 14078-83.
	Peterson, R. T.; Mably, J. D.; Chen, J.; Fishman, M. C. Convergence of distinct pathways to heart patterning revealed by the small molecule concentramide and the mutation heart-and-soul. Current Biology 2001, 11, 1481-1491.
	Torrance, C. J.; Agrawal, V.; Vogelstein, B.; Kinzler, K. W. Use of Isogenic Human Cancers Cells for High-throughput Screening and Drug Discovery. Nature Biotechnology 2001, 19, 940-945.
	Sohn, T. A.; Su, G. H.; Ryu, B.; Yeo, C. J.; Kern, S. E.; High-Throughput Drug Screening of the DPC4 Tumor-Suppressor Pathway in Human Pancreatic Cancer Cells. Annals of Surgery 2001, 233 (5), 696-703.
	Grozinger, C. M.; Chao, E. D.; Blackwell, H. E.; Moazed, D.; Schreiber, S. L. Identification of a Class of Small Molecule Inhibitors of the Sirtuin Family of NAD-dependent Deacetylases by Phenotypic Screening. J. Bio. Chem. 2001, 276 (42), 38837.
	Degterev, A.; Lugovskoy, A.; Cardone, M.; Mulley, B.; Wagner, G.; Mitchison, T.; Yuan, J. Identification of Small-Molecule Inhibitors of Interaction between the BH3 Domain and Bcl-xL. Nature Cell Biology 2001, 3, 173-82.

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2000 Publications +/-

	Haggarty, S. J.; Mayer, T. U.; Miyamoto, D. T.; Fathi, R.; King, R. W.; Mitchison, T. J.; Schreiber, S. L.; Dissecting cellular processes using small molecules: identification of colchicine-like, taxol-like and other small molecules that perturb mitosis. Chem. Biol. 2000, 7 (4), 275-286.
	Baxter, C. A.; Murray, C. W.; Waszkowycz, B.; Li, J.; Sykes, R. A.; Bone, R. G. A.; Perkins, T. D. J.; Wylie, W.; New Approach to Molecular Docking and Its Application to Virtual Screening of Chemical Databases. J. Chem. Inf. Comput. Sci. 2000, 40 (2), 254-262.
	Peterson, R.; Link, B. A.; Dowling, J.E.; Schreiber, S. L. Small Molecule Developmental Screens Reveal the Logic and Timing of Vertebrate Development. PNAS 2000, 97, 12965-69.
	Kim, T.; Kim, T. Y.; Lee, W.G.; Yim, J.; Kim; T. K.. Signaling Pathways to the Assembly of an Interferon-B Enhanceosome. J. Biol. Chem. 2000, 275, 16910-17. CHEMICAL GENETIC STUDIES WITH A SMALL MOLECULE
	Su, G. H.; Taylor, A. S.; Byungwoo, R.; Kern, S. E. A Novel Histone Deacetylase Inhibitor Identified by High-throughput Transcriptional Screening of a Compound Library. Cancer Res. 2000, 60, 3137-42.

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1999 Publications +/-

	Vázquez-Laslop, N.; Markham, P. N.; Neyfakh, A. A.; Mechanism of Ligand Recognition by BmrR, the Multidrug-Responding Transcriptional Regulator: Mutational Analysis of the Ligand-Binding Site. Biochem. 1999, 38 (51), 16925-16931.
	Majhi, P. R.; Mukherjee, K.; Moulik, S. P.; Sen, S.; Sahu, N. P. Solution Properties of a Saponin (Acaciaside) in the Presence of Triton X-100 and Igepal. Langmuir. 1999, 15 (20), 6624-6630.
	Stanton, D. T.; Morris, T. W.; Roychoudhury, S.; Parker, C. N.; Application of Nearest-Neighbor and Cluster Analyses in Pharmaceutical Lead Discovery. J. Chem. Inf. Comput. Sci. 1999, 39 (1), 21-27.
	Murray, C. M.; Cato, S. J.; Haggarty, S. J.; Design of Libraries To Explore Receptor Sites. J. Chem. Inf. Comput. Sci. 1999, 39 (1), 46-50.
	Mayer, T. U.; Kapoor, T. M.; Haggarty, S. J.; King, R. W.; Screiber, S. L.; Mitchison, T. J. Small Molecule Inhibitor of Mitotic Spindle Bipolarity Identified in a Phenotype-based Screen. Science 1999, 286, 971-74.
	Komarov, P. G.; Komarova, E. A.; Kondratov, R. V.; Christov-Tselkov, K.; Coon, J. S.; Chernov, M. V.; Gudkov, A. V. A Chemical Inhibitor of p53 that Protects Mice from the Side Effects of Cancer Therapy. Science 1999, 285, 1733-37.
	Markham, P. N.; Westhaus, E.; Klyachko, K.; Johnson, M. E.; Neyfakh, A. A. Multiple Novel Inhibitors of the NorA Multidrug Transporter of Staphylococcus aureus. Antimicrobial Agents and Chemotherapy 1999, 43, 2404-08.
	Stockwell, B. R.; Hardwick, J.S.; Tong, J. K.; Schreiber, S. L. Chemical genetic and genomic approaches reveal a role for copper in specific gene activation. J. of Amer. Chem. Society 1999, 121, 10662-10663.
	Webb, T. R.; Melman, N.; Lvovskiy, D.; Ji, X.; Jacobson, K. A. The Utilization of a Unified Pharmacophore Query in the Discovery of New Antagonists of the Adenosine Receptor Family. Bioorg. Med. Chem. Lett. 21999, 10, 31-34.

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1998 Publications +/-

Toney, J. H.; Fitzgerald, P. M.; Grover-Sharma, N.; Olson, S. H.; May, W. J.; Sundelof, J. G.; Vanderwall, D. E.; Cleary, K. A.; Grant, S. K.; Wu, J. K.; Kozarich, J. W.; Pompliano, D. L.; Hammond, G. G.; Antibiotic sensitization using biphenyl tetrazoles as potent inhibitors of Bacteroides fragilis metallo-beta-lactamase. Chem. Biol. 1998, 5 (4), 185-196.

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1997 Publications +/-

Nakao, N.; An increase in intracellular levels of cyclic AMP produces trophic effects on striatal neurons developing in culture. Neuroscience. 1997, 82 (4), 1009-1020.

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