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Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor.
J Med Chem. 2005 Nov 17; 48(23):7166-71.JM

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.

Authors+Show Affiliations

Department of Pharmaceutical Chemistry, University of Kuopio, P.O. Box 1627, FIN-70211 Kuopio, Finland. outi.salo@uku.fiNo affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info available

Pub Type(s)

Comparative Study
Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

16279774

Citation

Salo, Outi M H., et al. "Virtual Screening of Novel CB2 Ligands Using a Comparative Model of the Human Cannabinoid CB2 Receptor." Journal of Medicinal Chemistry, vol. 48, no. 23, 2005, pp. 7166-71.
Salo OM, Raitio KH, Savinainen JR, et al. Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor. J Med Chem. 2005;48(23):7166-71.
Salo, O. M., Raitio, K. H., Savinainen, J. R., Nevalainen, T., Lahtela-Kakkonen, M., Laitinen, J. T., Järvinen, T., & Poso, A. (2005). Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor. Journal of Medicinal Chemistry, 48(23), 7166-71.
Salo OM, et al. Virtual Screening of Novel CB2 Ligands Using a Comparative Model of the Human Cannabinoid CB2 Receptor. J Med Chem. 2005 Nov 17;48(23):7166-71. PubMed PMID: 16279774.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor. AU - Salo,Outi M H, AU - Raitio,Katri H, AU - Savinainen,Juha R, AU - Nevalainen,Tapio, AU - Lahtela-Kakkonen,Maija, AU - Laitinen,Jarmo T, AU - Järvinen,Tomi, AU - Poso,Antti, PY - 2005/11/11/pubmed PY - 2006/1/18/medline PY - 2005/11/11/entrez SP - 7166 EP - 71 JF - Journal of medicinal chemistry JO - J Med Chem VL - 48 IS - 23 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. SN - 0022-2623 UR - https://www.unboundmedicine.com/medline/citation/16279774/Virtual_screening_of_novel_CB2_ligands_using_a_comparative_model_of_the_human_cannabinoid_CB2_receptor_ L2 - https://doi.org/10.1021/jm050565b DB - PRIME DP - Unbound Medicine ER -