• A CADD Based Discovery of Lead‐Like Compounds Against KDM5A for Cancers Using Pharmacophore Modeling and High‐Throughput Virtual Screening

    11 days ago - By Wiley

    Abstract
    KDM5A over-expression mediates cancer cell proliferation and promotes resistance towards chemotherapy through epigenetic modifications. As its complete mechanism of action is still unknown, there is no KDM5A specific drug available at clinical level. In the current study, lead compounds for KDM5A were determined through pharmacophore modeling and high-throughput virtual screening from Asinex libraries containing 0.5 million compounds. These virtual hits were further evaluated and filtered for ADMET properties. Finally, 726 compounds were used for docking analysis against KDM5A. On...
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