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

A1 Originalartikel i en vetenskaplig tidskrift (referentgranskad)


Interna författare/redaktörer


Publikationens författare: Salo, Raitio, Savinainen, Nevalainen, Lahtela-Kakkonen, Laitinen, Järvinen, Poso
Publiceringsår: 2005
Tidskrift: Journal of Medicinal Chemistry
Tidskriftsakronym: J Med Chem
Volym: 48
Nummer: 23
Artikelns första sida, sidnummer: 7166
Artikelns sista sida, sidnummer: 7171
ISSN: 0022-2623
eISSN: 1520-4804


Abstrakt

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.

Senast uppdaterad 2019-17-11 vid 05:18