These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Search MEDLINE/PubMed

  • Title: Discovery of natural estrogen receptor modulators with structure-based virtual screening.
    Author: Cao X, Jiang J, Zhang S, Zhu L, Zou J, Diao Y, Xiao W, Shan L, Sun H, Zhang W, Huang J, Li H.
    Journal: Bioorg Med Chem Lett; 2013 Jun 01; 23(11):3329-33. PubMed ID: 23608764.
    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.
    [Abstract] [Full Text] [Related] [New Search]