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

被引：53
作者：
Salo, OMH
Raitio, KH
Savinainen, JR
Nevalainen, T
Lahtela-Kakkonen, M
Laitinen, JT
Järvinen, T
Poso, A
机构：
[1] Univ Kuopio, Dept Pharmaceut Chem, FIN-70211 Kuopio, Finland
[2] Univ Kuopio, Dept Physiol, FIN-70211 Kuopio, Finland
来源：
JOURNAL OF MEDICINAL CHEMISTRY | 2005年 / 48卷 / 23期
关键词：
D O I：
10.1021/jm050565b
中图分类号：
R914 [药物化学];
学科分类号：
100701 ;
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, 1-isoquinolyl[3-(trifluoromethyl)phenyl]methanone (40, NRB 04079) was found to act as a selective agonist at the human CB2 receptor.
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页码：7166 / 7171
页数：6
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