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:
Quantitative structure-activity relationships of HIV-1 integrase inhibitors of DKAs
作者: Shi Ya-Wei; Liu Zhen-Ming; Jin Hong-Wei; Zhang Liang-Ren; Zhang Li-He
关键词: inhibitors of HIV-1. integrase ; DKAs ; GFA ; MFA ; pharmocophore
刊名: ACTA PHYSICO-CHIMICA SINICA
发表日期: 2007-09-01
DOI: 10.3866/PKU.WHXB20070916
卷: 23, 期:9, 页:1393-1398
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology
类目[WOS]: Chemistry, Physical
研究领域[WOS]: Chemistry
关键词[WOS]: STRAND-TRANSFER ; DRUG DESIGN ; CELLS ; REPLICATION
英文摘要:

The quantitative structure-activity relationships (QSAR) of a series of human immunodeficiency virus type I (HIV-1) integrase inhibitors of the derivatives of diketone acids (DKAs) were investigated using genetic function approximation (GFA) and moleculor field analysis (MFA) models and then validated by F-test and predictive-ability test. The r(pred)(2) of these two models reached 0.987 and 0.759, respectively, which demonstrated that the models had perfect predictive ability. Furthermore pharmocophore analysis was used to confirm the models and demonstrate the importance of hydrophobic interactions. Based on the above conclusions, three new molecules of DKAs with higher activity have been theoretically designed and are waiting for support from experiment. The findings in this research will give some guidance for designing novel effective HIV-1 integrase inhibitors.

语种: 中文
WOS记录号: WOS:000249570000016
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.bjmu.edu.cn/handle/400002259/67883
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: Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Beijing 100083, Peoples R China

Recommended Citation:
Shi Ya-Wei,Liu Zhen-Ming,Jin Hong-Wei,et al. Quantitative structure-activity relationships of HIV-1 integrase inhibitors of DKAs[J]. ACTA PHYSICO-CHIMICA SINICA,2007,23(9):1393-1398.
Service
Recommend this item
Sava as my favorate item
Show this item's statistics
Export Endnote File
Google Scholar
Similar articles in Google Scholar
[Shi Ya-Wei]'s Articles
[Liu Zhen-Ming]'s Articles
[Jin Hong-Wei]'s Articles
CSDL cross search
Similar articles in CSDL Cross Search
[Shi Ya-Wei]‘s Articles
[Liu Zhen-Ming]‘s Articles
[Jin Hong-Wei]‘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
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

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

 

 

Valid XHTML 1.0!
Copyright © 2007-2017  北京大学医学部 - Feedback
Powered by CSpace