title: The topology of drug-target interaction networks: implicit dependence on drug properties and target families.
abstract: The availability of interaction data between small molecule drugs and protein targets has increased substantially in recent years. Using seven different databases, we were able to assemble a total of 4767 unique interactions between 802 drugs and 480 targets, which means that on average every drug is currently acknowledged to interact with 6 targets. The application of network theory to the analysis of these data reveals an unexpectedly complex picture of drug-target interactions. The results confirm that the topology of drug-target networks depends implicitly on data completeness, drug properties, and target families. The implications for drug discovery are discussed.
authors: Chemogenomics Laboratory, Research Unit on Biomedical Informatics, Institut Municipal d'Investigació Mèdica, Parc de Recerca Biomèdica, Doctor Aiguader 88, Catalonia, 08003 Barcelona, Spain. jmestres@imim.es
authors: Jordi
authors: J
authors: Mestres
authors: Elisabet
authors: E
authors: Gregori-Puigjané
authors: Sergi
authors: S
authors: Valverde
authors: Ricard V
authors: RV
authors: Solé
mesh_terms: D001665:Binding Sites; D003198:Computer Simulation; D016503:Drug Delivery Systems / Q000379:methods*; D055808:Drug Discovery / Q000379:methods*; D004798:Enzymes / Q000737:chemistry / Q000378:metabolism; D007473:Ion Channels / Q000737:chemistry / Q000378:metabolism; D053858:Metabolic Networks and Pathways / Q000187:drug effects; D008954:Models, Biological; D010600:Pharmacology / Q000379:methods*; D011485:Protein Binding; D025941:Protein Interaction Mapping / Q000379:methods; D018160:Receptors, Cytoplasmic and Nuclear; D043562:Receptors, G-Protein-Coupled / Q000737:chemistry / Q000378:metabolism; D054852:Small Molecule Libraries
chemical_list: D004798:Enzymes; D007473:Ion Channels; D018160:Receptors, Cytoplasmic and Nuclear; D043562:Receptors, G-Protein-Coupled; D054852:Small Molecule Libraries