The topology of drug-target interaction networks: implicit dependence on drug properties and target families.
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.
Mestres
Jordi
J
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
Gregori-Puigjané
Elisabet
E
Valverde
Sergi
S
Solé
Ricard V
RV
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
D004798:Enzymes; D007473:Ion Channels; D018160:Receptors, Cytoplasmic and Nuclear; D043562:Receptors, G-Protein-Coupled; D054852:Small Molecule Libraries