title: SuperTarget goes quantitative: update on drug-target interactions.
abstract: There are at least two good reasons for the on-going interest in drug-target interactions: first, drug-effects can only be fully understood by considering a complex network of interactions to multiple targets (so-called off-target effects) including metabolic and signaling pathways; second, it is crucial to consider drug-target-pathway relations for the identification of novel targets for drug development. To address this on-going need, we have developed a web-based data warehouse named SuperTarget, which integrates drug-related information associated with medical indications, adverse drug effects, drug metabolism, pathways and Gene Ontology (GO) terms for target proteins. At present, the updated database contains >6000 target proteins, which are annotated with >330,000 relations to 196,000 compounds (including approved drugs); the vast majority of interactions include binding affinities and pointers to the respective literature sources. The user interface provides tools for drug screening and target similarity inclusion. A 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 proteins within a certain affinity range. SuperTarget is available at http://bioinformatics.charite.de/supertarget.
authors: Structural Bioinformatics Group, Institute for Physiology, Charité-University Medicine Berlin, Lindenberger Weg 80, 13125 Berlin, Germany.
authors: Nikolai
authors: N
authors: Hecker
authors: Jessica
authors: J
authors: Ahmed
authors: Joachim
authors: J
authors: von Eichborn
authors: Mathias
authors: M
authors: Dunkel
authors: Karel
authors: K
authors: Macha
authors: Andreas
authors: A
authors: Eckert
authors: Michael K
authors: MK
authors: Gilson
authors: Philip E
authors: PE
authors: Bourne
authors: Robert
authors: R
authors: Preissner
mesh_terms: D016208:Databases, Factual; D055808:Drug Discovery; D053858:Metabolic Networks and Pathways / Q000187:drug effects; D004364:Pharmaceutical Preparations / Q000737:chemistry; D011506:Proteins / Q000737:chemistry; D040262:Receptors, Vascular Endothelial Growth Factor / Q000037:antagonists & inhibitors; D015398:Signal Transduction / Q000187:drug effects
chemical_list: D004364:Pharmaceutical Preparations; D011506:Proteins; D040262:Receptors, Vascular Endothelial Growth Factor