中国科学院上海有机化学研究所机构知识库
Advanced  
SIOC OpenIR  > 上海有机化学研究所  > 期刊论文
学科主题: 生命有机化学
题名: Sulfonylurea类ALS/AHAS抑制剂作用方式的分子对接研究和新抑制剂的虚拟筛选
其他题名: Docking study on the binding modes of sulfonylurea analogues to ALS/AHAS and virtual screen of novel inhibitors
作者: 张涛 ; 董喜成 ; 陈海峰 ; 陈敏伯
通讯作者: 董喜成
刊名: 化学学报
发表日期: 2006-01-01
卷: 64, 期:9, 页:899-905
收录类别: SCI
部门归属: 中国科学院上海有机化学研究所
英文摘要: From the crystal structure of acetolactate synthase (ALS) or acetohydroxyacid synthase (AHAS), a docking study was performed to explore the binding modes of 8 sulfonylurea analogues to ALS as its inhibitors using combined DOCK5 and Autodock3 programs. On the basis of the modes and the crystal structure of ALS and sulfonylurea complex, a simplified pharmacophore was obtained. Accordingly, 425 known pesticides, which were not previously found to have the function of inhibiting ALS, were screened by the same docking methods. A number of molecules were found to have the function of inhibition to ALS. It was predicted that those molecules could be used as the inhibitor of ALS. This result revealed the structure-activity relationships of this kind of pesticide and can be used to design and synthesize novel lead compound as ALS inhibitors.
语种: 中文
内容类型: 期刊论文
URI标识: http://ir.sioc.ac.cn/handle/331003/27629
Appears in Collections:上海有机化学研究所_期刊论文

Files in This Item: Download All
File Name/ File Size Content Type Version Access License
2006005.pdf(641KB)----开放获取--View Download

Recommended Citation:
张涛,董喜成,陈海峰,等. Sulfonylurea类ALS/AHAS抑制剂作用方式的分子对接研究和新抑制剂的虚拟筛选[J]. 化学学报,2006,64(9):899-905.
Service
Recommend this item
Sava as my favorate item
Show this item's statistics
Export Endnote File
Google Scholar
Similar articles in Google Scholar
[张涛]'s Articles
[董喜成]'s Articles
[陈海峰]'s Articles
CSDL cross search
Similar articles in CSDL Cross Search
[张涛]‘s Articles
[董喜成]‘s Articles
[陈海峰]‘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
文件名: 2006005.pdf
格式: Adobe PDF
此文件暂不支持浏览
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!
Powered by CSpace