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ID: ALA4312042

Journal: ACS Med Chem Lett

Title: In Silico Discovery of JMJD6 Inhibitors for Cancer Treatment.

Authors: Ran T, Xiao R, Huang Q, Yuan H, Lu T, Liu W.

Abstract: The 2-oxoglutarate (2OG)-dependent oxygenase JMJD6 is emerging as a potential anticancer target, but its inhibitors have not been reported so far. In this study, we reported an in silico protocol to discover JMJD6 inhibitors targeting the druggable 2OG-binding site. Following this protocol, one compound, which we named as WL12, was found to be able to inhibit JMJD6 enzymatic activity and JMJD6-dependent cell proliferation. To our best knowledge, this is the first case in drug discovery targeting JMJD6.

CiteXplore: 31857835

DOI: 10.1021/acsmedchemlett.9b00264