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  • Virtual screening yields inhibitors of novel antifungal drug target, benzoate 4-monooxygenase
    Berne, Sabina ...
    Fungal CYP53 enzymes are highly conserved proteins, involved in phenolic detoxification and have no homologues in higher eukaryotes, rendering them favorable drug targets. Aiming to discover novel ... CYP53 inhibitors, we employedtwo parallel virtual screening protocols and evaluated highest scoringhit compounds by analyzing the spectral binding interactions, by surveying the antifungal activity, and assessing the inhibition of catalytic activity. Based on combined results, we selected 3-methyl-4-(1H-pyrrol-1-yl)benzoic acid (compound 2) as the best candidate forhit-to-lead follow-up in the antifungal drug discovery process.
    Source: Journal of chemical information and modeling. - ISSN 1549-9596 (Vol. 52, iss. 11, 2012, str. 3053-3063)
    Type of material - article, component part ; adult, serious
    Publish date - 2012
    Language - english
    COBISS.SI-ID - 30257369