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Computational design and discovery of conformationally flexible inhibitors of acetohydroxyacid synthase to overcome drug resistance associated with the W586L mutation

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成果类型:
期刊论文
作者:
Ji, Feng-Qin*;Niu, Cong-Wei;Chen, Chao-Nan;Chen, Qiong;Yang, Guang-Fu(杨光富);...
通讯作者:
Ji, Feng-Qin
作者机构:
[Yang, Guang-Fu; Ji, Feng-Qin; Chen, Qiong; Chen, Chao-Nan] Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
[Xi, Zhen; Niu, Cong-Wei] Nankai Univ, State Key Lab Elementoorgan Chem, Tianjin 300071, Peoples R China.
[Zhan, Chang-Guo] Univ Kentucky, Coll Pharm, Dept Pharmaceut Sci, Lexington, KY 40536 USA.
通讯机构:
[Ji, Feng-Qin] C
Cent China Normal Univ, Coll Chem, Minist Educ, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
语种:
英文
关键词:
enzymes;inhibitors;molecular modeling;rational design
期刊:
ChemMedChem
ISSN:
1860-7179
年:
2008
卷:
3
期:
8
页码:
1203-1206
基金类别:
National Basic Research Program of China [200308114400]; National NSFC [20702018, 20432010]
机构署名:
本校为第一且通讯机构
院系归属:
化学学院
摘要:
(Figure Presented) Rational design: A series of 2-aroxyl-1,2,4-triazolo[1, 5-c]pyrimidine derivatives were computationally designed (see scheme) and synthesized as conformationally flexible AHAS inhibitors. These compounds could find use as new leads for combating drug resistance. ©...

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