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

Outi Salo-Ahen; null Raitio; null Savinainen; null Nevalainen; null Lahtela-Kakkonen; null Laitinen; null Järvinen; null Poso

doi:10.1021/jm050565b

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

Outi Salo-Ahen, Raitio, Savinainen, Nevalainen, Lahtela-Kakkonen, Laitinen, Järvinen, Poso

Research output: Contribution to journal › Article › Scientific › peer-review

62 Citations (Scopus)

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.

Original language	Undefined/Unknown
Pages (from-to)	7166–7171
Journal	Journal of Medicinal Chemistry
Volume	48
Issue number	23
DOIs	https://doi.org/10.1021/jm050565b
Publication status	Published - 2005
MoE publication type	A1 Journal article-refereed

Access to Document

10.1021/jm050565b

Cite this

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title = "Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor",

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.",

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T1 - Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor

AU - Salo-Ahen, Outi

AU - Raitio, null

AU - Savinainen, null

AU - Nevalainen, null

AU - Lahtela-Kakkonen, null

AU - Laitinen, null

AU - Järvinen, null

AU - Poso, null

PY - 2005

Y1 - 2005

N2 - 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.

AB - 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.

U2 - 10.1021/jm050565b

DO - 10.1021/jm050565b

M3 - Artikel

SN - 0022-2623

VL - 48

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EP - 7171

JO - Journal of Medicinal Chemistry

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