Novel flavonol analogues as potential inhibitors of JMJD3 histone demethylase—A study based on molecular modelling
Journal of Molecular Graphics and Modelling(2017)
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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