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In Silico Discovery of JMJD6 Inhibitors for Cancer Treatment.

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.

SUBMITTER: Ran T

PROVIDER: S-EPMC6912872 | biostudies-literature | 2019 Dec

REPOSITORIES: biostudies-literature

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In Silico Discovery of JMJD6 Inhibitors for Cancer Treatment.

Ran Ting T Xiao Rongquan R Huang Qixuan Q Yuan Haoliang H Lu Tao T Liu Wen W

ACS medicinal chemistry letters 20191119 12

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 ...[more]

PMID: 31857835

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