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

    Tutkimustuotos: LehtiartikkeliArtikkeliTieteellinenvertaisarvioitu

    57 Sitaatiot (Scopus)

    Abstrakti

    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.
    AlkuperäiskieliEi tiedossa
    Sivut7166–7171
    JulkaisuJournal of Medicinal Chemistry
    Vuosikerta48
    Numero23
    DOI - pysyväislinkit
    TilaJulkaistu - 2005
    OKM-julkaisutyyppiA1 Julkaistu artikkeli, soviteltu

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