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In Silico Target Profiling of One Billion Molecules

2011; Wiley; Volume: 30; Issue: 5 Linguagem: Inglês

10.1002/minf.201100018

1868-1751

Alfons Nonell‐Canals, Jordi Mestres,

Microbial Natural Products and Biosynthesis

Molecular InformaticsVolume 30, Issue 5 p. 405-409 Communication In Silico Target Profiling of One Billion Molecules Alfons Nonell-Canals, Alfons Nonell-Canals Chemogenomics Laboratory, Research Programme on Biomedical Informatics (GRIB), IMIM (Hospital del Mar Research Institute) and Universitat Pompeu Fabra, Parc de Recerca Biomèdica, Doctor Aiguader 88, 08003 Barcelona, Catalonia, Spain fax: +34 93 3160550Search for more papers by this authorJordi Mestres, Corresponding Author Jordi Mestres [email protected] Chemogenomics Laboratory, Research Programme on Biomedical Informatics (GRIB), IMIM (Hospital del Mar Research Institute) and Universitat Pompeu Fabra, Parc de Recerca Biomèdica, Doctor Aiguader 88, 08003 Barcelona, Catalonia, Spain fax: +34 93 3160550Chemogenomics Laboratory, Research Programme on Biomedical Informatics (GRIB), IMIM (Hospital del Mar Research Institute) and Universitat Pompeu Fabra, Parc de Recerca Biomèdica, Doctor Aiguader 88, 08003 Barcelona, Catalonia, Spain fax: +34 93 3160550Search for more papers by this author Alfons Nonell-Canals, Alfons Nonell-Canals Chemogenomics Laboratory, Research Programme on Biomedical Informatics (GRIB), IMIM (Hospital del Mar Research Institute) and Universitat Pompeu Fabra, Parc de Recerca Biomèdica, Doctor Aiguader 88, 08003 Barcelona, Catalonia, Spain fax: +34 93 3160550Search for more papers by this authorJordi Mestres, Corresponding Author Jordi Mestres [email protected] Chemogenomics Laboratory, Research Programme on Biomedical Informatics (GRIB), IMIM (Hospital del Mar Research Institute) and Universitat Pompeu Fabra, Parc de Recerca Biomèdica, Doctor Aiguader 88, 08003 Barcelona, Catalonia, Spain fax: +34 93 3160550Chemogenomics Laboratory, Research Programme on Biomedical Informatics (GRIB), IMIM (Hospital del Mar Research Institute) and Universitat Pompeu Fabra, Parc de Recerca Biomèdica, Doctor Aiguader 88, 08003 Barcelona, Catalonia, Spain fax: +34 93 3160550Search for more papers by this author First published: 19 April 2011 https://doi.org/10.1002/minf.201100018Citations: 12Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Graphical Abstract References 1S. L. Schreiber, Nat. Chem. Biol. 2005, 1, 64– 66. 2C. Lipinski, A. Hopkins, Nature 2004, 432, 855– 861. 3S. Dandapani, L. A. Marcaurelle, Nat. Chem. Biol. 2010, 6, 861– 863. 4A. Chuprina, O. Lukin, R. Demoiseaux, A. Buzko, A. Shivanyuk, J. Chem. Inf. Model. 2010, 50, 470– 479. 5Y. Wang, E. Bolton, S. Dracheva, K. Karapetyan, B. A. Shoemaker, T. O. Suzek, J. Wang, J. Xiao, J. Zhang, S. H. Bryant, Nucl. Acids Res. 2010, 38, D 255–D 266. 6L. C. Blum, J. L. Reymond, J. Am. Chem. Soc. 2009, 131, 8732– 8733. 7S. Ekins, J. Mestres, B. Testa, Br. J. Pharmacol. 2007, 152, 9– 20. 8 8aM. J. Keiser, B. L. Roth, B. N. Armbruster, P. Ernsberger, J. J. Irwin, B. K. Shoichet, Nat. Biotechnol. 2007, 25, 197– 206; 8bM. J. Keiser, V. Setola, J. J. Irwin, C. Laggner, A. I. Abbas, S. J. Hufeisen, N. H. Jensen, M. B. Kuijer, R. C. Matos, T. B. Tran, R. Whaley, R. A. Glennon, J. Hert, K. L. H. Thomas, D. D. Edwards, B. K. Shoichet, B. L. 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Valverde, R. V. Solé, Mol. BioSyst. 2009, 5, 1051– 1057. 13K. T. Nguyen, S. Syed, S. Urwyler, S. Bertrand, J. L. Reymond, ChemMedChem 2008, 3, 1520– 1524. 14M. Vieth, J. J. Sutherland, J. Med. Chem. 2006, 49, 3451– 3453. 15F. M. Areias, J. M. Brea, E. Gregori-Puigjané, M. E. A. Zaki, A. Carvalho, E. Domínguez, H. Gutiérrez-de-Terán, F. M. Proença, M. I. Loza, J. Mestres, Bioorg. Med. Chem. 2010, 18, 3043– 3052. 16R. Garcia-Serna, J. Mestres, Drug Discov. Today 2011, 16, 99– 106. Citing Literature Supporting Information Detailed facts of importance to specialist readers are published as ”Supporting Information”. Such documents are peer-reviewed, but not copy-edited or typeset. They are made available as submitted by the authors. Filename Description minf_201100018_sm_miscellaneous_information.pdf93.4 KB miscellaneous_information Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article. Volume30, Issue5May 16, 2011Pages 405-409 ReferencesRelatedInformation