In silico identification of novel inhibitors targeting the DNA-binding domain of the human estrogen receptor alpha
The Journal of Steroid Biochemistry and Molecular Biology（2021）
摘要
•Structure-based virtual screening workflow for identification of antiestrogen drugs.•Surface site on the DNA binding domain of ERα has potential to bind small molecules.•Synthesized lead molecule inhibits E2-induced cell proliferation in MCF-7 cell lines.
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关键词
Estrogen receptor alpha,DNA binding domain,Docking,Molecular dynamics simulation,Antiestrogen drug,Inhibition of proliferation
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