Abstract
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, 1-isoquinolyl[3-(trifluoromethyl)phenyl]methanone (40, NRB 04079) was found to act as a selective agonist at the human CB2 receptor.
Publication types
-
Comparative Study
-
Research Support, Non-U.S. Gov't
MeSH terms
-
Animals
-
Binding Sites
-
CHO Cells
-
Cattle
-
Cricetinae
-
Cricetulus
-
Humans
-
Isoquinolines / chemical synthesis
-
Isoquinolines / chemistry*
-
Isoquinolines / pharmacology
-
Ligands
-
Models, Molecular*
-
Protein Conformation
-
Radioligand Assay
-
Receptor, Cannabinoid, CB2 / agonists*
-
Receptor, Cannabinoid, CB2 / chemistry*
-
Receptor, Cannabinoid, CB2 / genetics
-
Rhodopsin / chemistry
Substances
-
1-isoquinolyl-(3-(trifluoromethyl)phenyl)methanone
-
Isoquinolines
-
Ligands
-
Receptor, Cannabinoid, CB2
-
Rhodopsin