| Literature DB >> 23608764 |
Xianwen Cao1, Jing Jiang, Shoude Zhang, Lili Zhu, Juan Zou, Yanyan Diao, Weilie Xiao, Lei Shan, Handong Sun, Weidong Zhang, Jin Huang, Honglin Li.
Abstract
Eleven compounds were identified as estrogen receptor modulators from an in-house natural product database (NPD) by structure-based virtual screening for ERα and ERβ. Among them, 3 compounds were confirmed as ER agonists and 8 compounds were confirmed as ER antagonists by yeast two-hybrid (Y2H) assay, with EC50 values ranging from several micromolar to 100 micromolar. In this study, a novel series of cycloartane triterpenoids isolated from Schisandra glaucescens Diels was found to have ER antagonistic effect, the most potent antagonist of which exhibited activity with EC50 value of 2.55 and 4.68 μM for ERα and ERβ, respectively. Moreover, the types of modulation and subtype selectivity were also investigated through molecular docking simulation.Entities:
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Year: 2013 PMID： 23608764 DOI： 10.1016/j.bmcl.2013.03.105
Source DB: PubMed Journal: Bioorg Med Chem Lett ISSN： 0960-894X Impact factor: 2.823