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  • Discovery of highly potent, nonsteroidal 17ß-hydroxysteroid dehydrogenase type 1 inhibitors by virtual high-throughput screening
    Starčević, Štefan ...
    17ß-Hydroxysteroid dehydrogenase type 1 (17ß-HSD1) catalyzes the formation of the potent proliferation-stimulating hormone estradiol, and it is thus involved in the development of hormone-dependent ... breast cancer. Due to its high substrate specificity and the known relationships between its over expression and disease incidence, 17ß-HSD1 is considered an attractive target for drug development. Here, we have used structure-based virtual high-throughput screening to successfully identify potent nonsteroidal 17ß-HSD1 inhibitors. Computational screening of a drug-like +database containing 13 million compounds identified hits with a 2-benzylidenebenzofuran-3(2H)-one scaffold that we show to be highly potent 17ß-HSD1 inhibitors. The most potent in the series, compound 1, showed an IC50of 45 nM in our 17ß-HSD1 inhibition assay, and also showed good selectivity for 17ß-HSD1 over 17ß-HSD2.
    Vir: Journal of Steroid Biochemistry and Molecular Biology. - ISSN 0960-0760 (Vol. 127, no. 3-5, 2011, str. 255-261)
    Vrsta gradiva - članek, sestavni del
    Leto - 2011
    Jezik - angleški
    COBISS.SI-ID - 3085937

    Povezava(-e):

    http://www.sciencedirect.com/science/article/pii/S0960076011001725
    DOI

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