Computational design of novel inhibitors to overcome weed resistance associated with acetohydroxyacid synthase (AHAS) P197L mutant

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成果类型：

期刊论文

作者：

Qu, Ren-Yu;Yang, Jing-Fang;Liu, Yu-Chao;Chen, Qiong;Hao, Ge-Fei;...

通讯作者：

Yang, Guang-Fu

作者机构：

[Yang, Guang-Fu; Yang, Jing-Fang; Liu, Yu-Chao; Qu, Ren-Yu; Chen, Qiong; Hao, Ge-Fei] 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.

[Yang, Guang-Fu; Xi, Zhen] Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 300071, Peoples R China.

[Yang, Guang-Fu] Cent China Normal Univ, Coll Chem, 152 Luoyu Rd, Wuhan 430079, Hubei, Peoples R China.

通讯机构：

[Yang, Guang-Fu] C

Cent China Normal Univ, Coll Chem, 152 Luoyu Rd, Wuhan 430079, Hubei, Peoples R China.

语种：

英文

关键词：

herbicide;weed resistance;fragment-based drug discovery;acetohydroxyacid synthase;pyrimidinyl salicylic acid

期刊：

Pest Management Science

ISSN：

1526-498X

年：

2017

卷：

期：

页码：

1373-1381

DOI：

10.1002/ps.4460

基金类别：

National Key Technologies RD ProgramNational Key Technology R&D Program [2014BAD23B00]; Special Fund for Agroscientific Research in the Public Interest [201203022]; National Natural Science Foundation of ChinaNational 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：

BACKGOUND: Acetohydroxyacid synthase (AHAS; EC 2.2.1.6) is the first common enzyme in the biosynthetic pathway leading to the branched-chain amino acids in plants and a wide range of microorganisms. With the long-term and wide application of AHAS inhibitors, weed resistance is becoming a global problem, which leads to an urgent demand for novel inhibitors to antagonize both wild-type and resistant AHAS. RESULTS: Pyrimidinyl salicylic acid derivatives, as one of the main classes of commercial AHAS herbicides, show potential anti-resistant bioact...

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Computational design of novel inhibitors to overcome weed resistance associated with acetohydroxyacid synthase (AHAS) P197L mutant

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