Novel flavonol analogues as potential inhibitors of JMJD3 histone demethylase—A study based on molecular modelling

Journal of Molecular Graphics and Modelling(2017)

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摘要
•Epigenetic control of gene expression is maintained by JMJD3.•Earlier reports are available on myricetin as a proven inhibitor of Jmj-C demethylases.•65 analogues of myricetin were identified through a similarity search in ZINC database and screened against JMJD3.•Our findings highlight the 8 most promising analogues of myricetin as possible inhibitors of JMJD3.
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关键词
Epigenetics,JMJD3,Ligand docking,Natural flavonols,Myricetin
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