Rational Design of Highly Potent and Slow-Binding Cytochrome bc(1) Inhibitor as Fungicide by Computational Substitution Optimization

首页 > 成果 > 详情

认领

导出

Link by DOI

反馈

作者信息关键词期刊信息基础信息归属信息摘要

成果类型：

期刊论文

作者：

Hao, Ge-Fei*;Yang, Sheng-Gang;Huang, Wei;Wang, Le;Shen, Yan-Qing;...

通讯作者：

Hao, Ge-Fei

作者机构：

[Yang, Guang-Fu; Yang, Sheng-Gang; Tu, Wen-Long; Huang, Wei; Li, Hui; Shen, Yan-Qing; Hao, Ge-Fei] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.

[Yang, Guang-Fu] Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300072, Peoples R China.

[Wu, Jia-Wei; Wang, Le] Tsinghua Univ, Sch Life Sci, Tsinghua Peking Ctr Life Sci, MOE Key Lab Prot Sci, Beijing 100084, Peoples R China.

[Huang, Li-Shar; Berry, Edward A.] SUNY Upstate Med Univ, Dept Biochem & Mol Biol, Syracuse, NY 13210 USA.

通讯机构：

[Hao, Ge-Fei] C

Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.

语种：

英文

期刊：

Scientific Reports

ISSN：

2045-2322

年：

2015

卷：

期：

页码：

13471

DOI：

10.1038/srep13471

基金类别：

National Key Technologies RD ProgramNational Key Technology R&D Program [2011BAE06B05]; NSFCNational Natural Science Foundation of China (NSFC) [21332004]

机构署名：

本校为第一且通讯机构

院系归属：

化学学院

摘要：

Hit to lead (H2L) optimization is a key step for drug and agrochemical discovery. A critical challenge for H2L optimization is the low efficiency due to the lack of predictive method with high accuracy. We described a new computational method called Computational Substitution Optimization (CSO) that has allowed us to rapidly identify compounds with cytochrome bc1 complex inhibitory activity in the nanomolar and subnanomolar range. The comprehensively optimized candidate has proved to be a slow binding inhibitor of bc1 complex, ~73-fold more pot...

反馈

产权有误：本人成果被他人认领

数据有误：数据基本信息有误

归属有误：成果的院系归属、机构署名归属有误

其他原因：

验证码：

看不清楚，换一个

确定

取消

成果认领

标题：

用户	作者	通讯作者	--
	请选择	请选择	--

确定

取消

Rational Design of Highly Potent and Slow-Binding Cytochrome bc(1) Inhibitor as Fungicide by Computational Substitution Optimization

反馈

成果认领

提示

该栏目需要登录且有访问权限才可以访问