SuperTarget and Matador: resources for exploring drug-target relationships.

@article{citeulike:1799330, abstract = {The molecular basis of drug action is often not well understood. This is partly because the very abundant and diverse information generated in the past decades on drugs is hidden in millions of medical articles or textbooks. Therefore, we developed a one-stop data warehouse, SuperTarget that integrates drug-related information about medical indication areas, adverse drug effects, drug metabolization, pathways and Gene Ontology terms of the target proteins. An easy-to-use query interface enables the user to pose complex queries, for example to find drugs that target a certain pathway, interacting drugs that are metabolized by the same cytochrome P450 or drugs that target the same protein but are metabolized by different enzymes. Furthermore, we provide tools for 2D drug screening and sequence comparison of the targets. The database contains more than 2500 target proteins, which are annotated with about 7300 relations to 1500 drugs; the vast majority of entries have pointers to the respective literature source. A subset of these drugs has been annotated with additional binding information and indirect interactions and is available as a separate resource called Matador. SuperTarget and Matador are available at http://insilico.charite.de/supertarget and http://matador.embl.de.}, address = {Structural Bioinformatics Group, Institute of Molecular Biology and Bioinformatics, Charit\'{e}—University Medicine Berlin, Arnimallee 22, 14195 Berlin, EMBL—Biocomputing, Meyerhofstra{\ss}e 1, 69117 Heidelberg, Institute for Laboratory Medicine, Windscheidstr, 18, 10627 Berlin, Germany, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Drive, La Jolla CA 92093, USA and Max-Delbr\"{u}ck-Center for MolecularMedicine (MDC), 13092 Berlin-Buch, Germany.}, author = {G\"{u}nther, Stefan and Kuhn, Michael and Dunkel, Mathias and Campillos, Monica and Senger, Christian and Petsalaki, Evangelia and Ahmed, Jessica and Urdiales, Eduardo Garcia G. and Gewiess, Andreas and Jensen, Lars Juhl J. and Schneider, Reinhard and Skoblo, Roman and Russell, Robert B B. and Bourne, Philip E E. and Bork, Peer and Preissner, Robert }, citeulike-article-id = {1799330}, doi = {10.1093/nar/gkm862}, issn = {1362-4962}, journal = {Nucleic Acids Res}, keywords = {cheminformatics, drug-development, ligand-docking}, month = {October}, posted-at = {2007-11-08 19:40:40}, priority = {0}, title = {SuperTarget and Matador: resources for exploring drug-target relationships.}, url = {http://dx.doi.org/10.1093/nar/gkm862}, year = {2007} }

TY - JOUR ID - citeulike:1799330 L3 - citeulike-article-id:1799330 TI - SuperTarget and Matador: resources for exploring drug-target relationships. JF - Nucleic Acids Res AD - Structural Bioinformatics Group, Institute of Molecular Biology and Bioinformatics, Charité—University Medicine Berlin, Arnimallee 22, 14195 Berlin, EMBL—Biocomputing, Meyerhofstraße 1, 69117 Heidelberg, Institute for Laboratory Medicine, Windscheidstr, 18, 10627 Berlin, Germany, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, 9500 Gilman Drive, La Jolla CA 92093, USA and Max-Delbrück-Center for MolecularMedicine (MDC), 13092 Berlin-Buch, Germany. SN - 1362-4962 N2 - The molecular basis of drug action is often not well understood. This is partly because the very abundant and diverse information generated in the past decades on drugs is hidden in millions of medical articles or textbooks. Therefore, we developed a one-stop data warehouse, SuperTarget that integrates drug-related information about medical indication areas, adverse drug effects, drug metabolization, pathways and Gene Ontology terms of the target proteins. An easy-to-use query interface enables the user to pose complex queries, for example to find drugs that target a certain pathway, interacting drugs that are metabolized by the same cytochrome P450 or drugs that target the same protein but are metabolized by different enzymes. Furthermore, we provide tools for 2D drug screening and sequence comparison of the targets. The database contains more than 2500 target proteins, which are annotated with about 7300 relations to 1500 drugs; the vast majority of entries have pointers to the respective literature source. A subset of these drugs has been annotated with additional binding information and indirect interactions and is available as a separate resource called Matador. SuperTarget and Matador are available at http://insilico.charite.de/supertarget and http://matador.embl.de. KW - cheminformatics KW - drug-development KW - ligand-docking AU - Günther, Stefan AU - Kuhn, Michael AU - Dunkel, Mathias AU - Campillos, Monica AU - Senger, Christian AU - Petsalaki, Evangelia AU - Ahmed, Jessica AU - Urdiales, Eduardo Garcia AU - Gewiess, Andreas AU - Jensen, Lars Juhl AU - Schneider, Reinhard AU - Skoblo, Roman AU - Russell, Robert B AU - Bourne, Philip E AU - Bork, Peer AU - Preissner, Robert PY - 2007/10/16/ UR - http://dx.doi.org/10.1093/nar/gkm862 ER -