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学科主题: 计算机化学与化学信息学
题名: 3D-QSAR studies with the aid of molecular docking for a series of non-steroidal FXR agonists
其他题名: 3D-QSAR studies with the aid of molecular docking for a series of non-steroidal FXR agonists
作者: Zhang T(张涛) ; Zhou JH(周俊红) ; Shi LW(史良伟) ; Zhu RX(朱瑞新) ; Chen MB(陈敏伯)
通讯作者: 陈敏伯
刊名: Bioorg. Med. Chem. Lett.
发表日期: 2007
卷: 17, 期:8, 页:2156-2160
收录类别: SCI
部门归属: 中国科学院上海有机化学研究所; 华东理工大学
英文摘要: The farnesoid x receptor (FXR) has become a potential drug target for treating cholesterol-related and bile acid-related diseases recently. In this paper, 3-dimensional quantitative structure-activity (structure-affinity and structure-efficacy) relationships are investigated for a series of non-steroidal agonists (fexaramine series) by using the comparative molecular field analysis (CoM-FA), where molecular docking method (FlexX) is employed to construct molecular superimposition maps. A proposal to design some new agonists is discussed lastly. (c) 2007 Elsevier Ltd. All rights reserved.
语种: 英语
相关网址: 查看原文
WOS记录号: WOS:000246045900008
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内容类型: 期刊论文
URI标识: http://ir.sioc.ac.cn/handle/331003/27671
Appears in Collections:上海有机化学研究所_期刊论文

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Recommended Citation:
Zhang T,Zhou JH,Shi LW,et al. 3D-QSAR studies with the aid of molecular docking for a series of non-steroidal FXR agonists[J]. Bioorg. Med. Chem. Lett.,2007,17(8):2156-2160.
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