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

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    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 languageUndefined/Unknown
    Pages (from-to)7166–7171
    JournalJournal of Medicinal Chemistry
    Volume48
    Issue number23
    DOIs
    Publication statusPublished - 2005
    MoE publication typeA1 Journal article-refereed

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