Discovery of natural estrogen receptor modulators with structure-based virtual screening
Cao, Xianwen1; Jiang, Jing1; Zhang, Shoude1,2; Zhu, Lili1; Zou, Juan3; Diao, Yanyan1; Xiao, Weilie3; Shan, Lei4; Sun, Handong3; Zhang, Weidong2,4; Huang, Jin1; Li, Honglin1
2013-06-01
发表期刊BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
ISSN0960-894X
卷号23期号:11页码:3329-3333
摘要Eleven compounds were identified as estrogen receptor modulators from an in-house natural product database (NPD) by structure-based virtual screening for ER alpha and ER beta. 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 mu M for ERa and ERb, respectively. Moreover, the types of modulation and subtype selectivity were also investigated through molecular docking simulation. (C) 2013 Elsevier Ltd. All rights reserved.
关键词Molecular Docking Natural Product Estrogen Receptor Virtual Screening
资助信息Fund of State Key Laboratory of Phytochemistry and Plant Resources in West China; Fundamental Research Funds for the Central Universities, the National Natural Science Foundation of China [21173076, 81102420, 81102375, 81230090, 81222046]; Special Fund for Major State Basic Research Project [2009CB918501]; Shanghai Committee of Science and Technology [11DZ2260600, 12401900801]; 863 Hi-Tech Program of China [2012AA020308]; National S&T Major Project of China [2011ZX09307-002-03]; New Century Excellent Talents in University [NCET10-0378]
收录类别SCI
语种英语
引用统计
文献类型期刊论文
条目标识符http://ir.kib.ac.cn/handle/151853/16585
专题植物化学与西部植物资源持续利用国家重点实验室
作者单位1.E China Univ Sci & Technol, Shanghai Key Lab New Drug Design, Sch Pharm, State Key Lab Bioreactor Engn, Shanghai 200237, Peoples R China
2.Shanghai Jiao Tong Univ, Sch Pharm, Shanghai 200240, Peoples R China
3.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West, Kunming 650201, Yunnan, Peoples R China
4.Second Mil Med Univ, Sch Pharm, Dept Phytochem, Shanghai 200433, Peoples R China
推荐引用方式
GB/T 7714
Cao, Xianwen,Jiang, Jing,Zhang, Shoude,et al. Discovery of natural estrogen receptor modulators with structure-based virtual screening[J]. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,2013,23(11):3329-3333.
APA Cao, Xianwen.,Jiang, Jing.,Zhang, Shoude.,Zhu, Lili.,Zou, Juan.,...&Li, Honglin.(2013).Discovery of natural estrogen receptor modulators with structure-based virtual screening.BIOORGANIC & MEDICINAL CHEMISTRY LETTERS,23(11),3329-3333.
MLA Cao, Xianwen,et al."Discovery of natural estrogen receptor modulators with structure-based virtual screening".BIOORGANIC & MEDICINAL CHEMISTRY LETTERS 23.11(2013):3329-3333.
条目包含的文件
文件名称/大小 文献类型 版本类型 开放类型 使用许可
2013072922.pdf(911KB) 开放获取--请求全文
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Cao, Xianwen]的文章
[Jiang, Jing]的文章
[Zhang, Shoude]的文章
百度学术
百度学术中相似的文章
[Cao, Xianwen]的文章
[Jiang, Jing]的文章
[Zhang, Shoude]的文章
必应学术
必应学术中相似的文章
[Cao, Xianwen]的文章
[Jiang, Jing]的文章
[Zhang, Shoude]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。