Virtual Screening of Novel CB2 Ligands Using a Comparative Model of the Human Cannabinoid CB2 Receptor

摘要

To identify novel selective CB2 lead compounds,a comparative model of the CB2 receptor was constructed using the high-resolution bovine rhodopsin X-ray structure as a template.The CB2 model was utilized both in building the database queries and in filtering the hit compounds by a docking and scoring method.In G-protein activation assays,l-isoquinolyl[3-(trifluoro-methyl)phenyl]methanone(40,NRB 04079)was found to act as a selective agonist at the human CB2 receptor.