Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor

A1 Journal article (refereed)

Internal Authors/Editors

Publication Details

List of Authors: Salo, Raitio, Savinainen, Nevalainen, Lahtela-Kakkonen, Laitinen, Järvinen, Poso
Publication year: 2005
Journal: Journal of Medicinal Chemistry
Journal acronym: J Med Chem
Volume number: 48
Issue number: 23
Start page: 7166
End page: 7171
ISSN: 0022-2623
eISSN: 1520-4804


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.

Last updated on 2020-25-09 at 05:57