北京大学医学部机构知识库
Advanced  
IR@PKUHSC  > 北京大学药学院  > 期刊论文
学科主题: 药学
题名:
QSAR and binding mode of a series of combretastatin analogues as tubulin inhibitors
作者: Tian Ran; Ji Yu-Bin; Liu Zhen-Ming; Jin Hong-Wei; Zhang Liang-Ren; Lin Wen-Han
关键词: combretastatin analogues ; QSAR ; genetic function analysis ; compaiative molecular field analysis ; comparative molecular similarity indices analysis
刊名: CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE
发表日期: 2007-11-10
卷: 28, 期:11, 页:2150-2155
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology
类目[WOS]: Chemistry, Multidisciplinary
研究领域[WOS]: Chemistry
关键词[WOS]: AGENTS ; MOLECULES
英文摘要:

The quantitative structure-activity relationship(QSAR) of a series of combretastatin analogues with ring B modification was studied. The two dimensional structure-activity relationship was carried out by genetic function analysis(GFA) method. The results indicate that Apol, PMI-mag, Dipole-mag, Hbond donor, and RadOfGyration descriptors contributed significantly to the activities. Furthermore, a three dimensional structure-activity was performed via comparative molecular field analysis(CoMFA) and comparative molecular similarity indices analysis(CoMSIA). An analyses of CoMFA and CoMSIA models resulted in a cross validated co-effieciency (q(2)) of 0. 630 and 0. 634 respectively, which showed a strong predictive ability. The contourmaps of CoMFA and CoMSIA provided smooth and interpretable explanation of the structure-activity relationship of the selected compounds. A molecular docking was used to analyze and validate the QSAR models. Those results provide a useful information to design novel tubulin inhibitors.

语种: 中文
WOS记录号: WOS:000251121800028
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.bjmu.edu.cn/handle/400002259/58041
Appears in Collections:北京大学药学院_期刊论文

Files in This Item:

There are no files associated with this item.


作者单位: 1.Harbin Univ Commerce, Res Ctr Life Sci & Environm Sci, Harbin 150076, Peoples R China
2.Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Beijing 100083, Peoples R China

Recommended Citation:
Tian Ran,Ji Yu-Bin,Liu Zhen-Ming,et al. QSAR and binding mode of a series of combretastatin analogues as tubulin inhibitors[J]. CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE,2007,28(11):2150-2155.
Service
Recommend this item
Sava as my favorate item
Show this item's statistics
Export Endnote File
Google Scholar
Similar articles in Google Scholar
[Tian Ran]'s Articles
[Ji Yu-Bin]'s Articles
[Liu Zhen-Ming]'s Articles
CSDL cross search
Similar articles in CSDL Cross Search
[Tian Ran]‘s Articles
[Ji Yu-Bin]‘s Articles
[Liu Zhen-Ming]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
Add to CiteULike Add to Connotea Add to Del.icio.us Add to Digg Add to Reddit

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Copyright © 2007-2018  北京大学医学部 - Feedback
Powered by CSpace