CB1 and CB2 cannabinoid receptor binding studies based on modeling and mutagenesis approaches.
In absence of X ray crystal structures of G-protein coupled receptors (GPCRs)-ligand complexes, computer-aided molecular modeling together with site-directed mutagenesis studies become of great importance in order to provide in-silico predictions that facilitate the development of new ligands. In this context, the present review addresses the application of these strategies to the CB(1) and CB(2) cannabinoid receptors. The combination of these complementary approaches represents a tool of considerable value which has allowed to understand the specific ligand-receptor interactions.
Ortega-Gutiérrez
Silvia
S
Departamento de Química Orgánica I, Facultad de Ciencias Químicas, Universidad Complutense, Madrid, Spain.
López-Rodríguez
María L
ML
D001665:Binding Sites; D002186:Cannabinoids / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology; D006801:Humans; D008024:Ligands; D008956:Models, Chemical; D016296:Mutagenesis; D043884:Receptor, Cannabinoid, CB1 / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*; D043885:Receptor, Cannabinoid, CB2 / Q000737:chemistry / Q000235:genetics / Q000378:metabolism*
D002186:Cannabinoids; D008024:Ligands; D043884:Receptor, Cannabinoid, CB1; D043885:Receptor, Cannabinoid, CB2