IR@PKUHSC  > 北京大学药学院
学科主题药学
Quantitative structure-activity relationships of HIV-1 integrase inhibitors of DKAs
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
2007-09-01
DOI10.3866/PKU.WHXB20070916
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
引用统计
被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.bjmu.edu.cn/handle/400002259/67883
专题北京大学药学院
作者单位Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Beijing 100083, Peoples R China
推荐引用方式
GB/T 7714
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.
APA Shi Ya-Wei,Liu Zhen-Ming,Jin Hong-Wei,Zhang Liang-Ren,&Zhang Li-He.(2007).Quantitative structure-activity relationships of HIV-1 integrase inhibitors of DKAs.ACTA PHYSICO-CHIMICA SINICA,23(9),1393-1398.
MLA Shi Ya-Wei,et al."Quantitative structure-activity relationships of HIV-1 integrase inhibitors of DKAs".ACTA PHYSICO-CHIMICA SINICA 23.9(2007):1393-1398.
条目包含的文件
条目无相关文件。
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
[Shi Ya-Wei]的文章
[Liu Zhen-Ming]的文章
[Jin Hong-Wei]的文章
百度学术
百度学术中相似的文章
[Shi Ya-Wei]的文章
[Liu Zhen-Ming]的文章
[Jin Hong-Wei]的文章
必应学术
必应学术中相似的文章
[Shi Ya-Wei]的文章
[Liu Zhen-Ming]的文章
[Jin Hong-Wei]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。