3D-QSAR studies with the aid of molecular docking for a series of non-steroidal FXR agonists | |
Zhang T(张涛) ; Zhou JH(周俊红) ; Shi LW(史良伟) ; Zhu RX(朱瑞新) ; Chen MB(陈敏伯) | |
刊名 | Bioorg. Med. Chem. Lett.
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2007 | |
卷号 | 17期号:8页码:2156-2160 |
ISSN号 | 0960-894X |
其他题名 | 3D-QSAR studies with the aid of molecular docking for a series of non-steroidal FXR agonists |
通讯作者 | 陈敏伯 |
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. |
学科主题 | 计算机化学与化学信息学 |
收录类别 | SCI |
原文出处 | http://dx.doi.org/10.1016/j.bmcl.2007.01.079 |
语种 | 英语 |
WOS记录号 | WOS:000246045900008 |
公开日期 | 2013-08-14 |
内容类型 | 期刊论文 |
源URL | [http://202.127.28.38/handle/331003/27671] ![]() |
专题 | 上海有机化学研究所_上海有机化学研究所 |
推荐引用方式 GB/T 7714 | 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. |
APA | 张涛,周俊红,史良伟,朱瑞新,&陈敏伯.(2007).3D-QSAR studies with the aid of molecular docking for a series of non-steroidal FXR agonists.Bioorg. Med. Chem. Lett.,17(8),2156-2160. |
MLA | 张涛,et al."3D-QSAR studies with the aid of molecular docking for a series of non-steroidal FXR agonists".Bioorg. Med. Chem. Lett. 17.8(2007):2156-2160. |
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