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Computational simulations of structural role of the active-site W374C mutation of acetyl-coenzyme-A carboxylase: Multi-drug resistance mechanism

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成果类型:
期刊论文、会议论文
作者:
Xiao-Lei Zhu;Wen-Chao Yang;Ning-Xi Yu;Sheng-Gang Yang;Guang-Fu Yang(杨光富
通讯作者:
Yang, Guang-Fu
作者机构:
[Guang-Fu Yang; Sheng-Gang Yang; Xiao-Lei Zhu; Wen-Chao Yang; Ning-Xi Yu] Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构:
[Yang, Guang-Fu] C
Cent China Normal Univ, Key Lab Pesticide & Chem Biol, Minist Educ, Coll Chem, Wuhan 430079, Peoples R China.
语种:
英文
关键词:
Acetyl-CoA carboxylase;Computational simulations;pi-pi Interaction;Resistance mechanism
期刊:
Journal of Molecular Modeling
ISSN:
1610-2940
年:
2011
卷:
17
期:
3
页码:
495-503
会议名称:
The 5th International Conference of Molecular Simulations and Applied Informatics Technologies(第五届国际分子模拟与信息技术应用学术会议 ICMS&I)
会议论文集名称:
The 5th International Conference of Molecular Simulations and Applied Informatics Technologies(第五届国际分子模拟与信息技术应用学术会议 ICMS&I)论文集
会议时间:
2010-09-01
会议地点:
武汉
会议赞助商:
中国化学会<&wdkj&>华中师范大学<&wdkj&>创腾科技有限公司<&wdkj&>中科院上海药物研究所
基金类别:
National Basic Research Program of ChinaNational Basic Research Program of China [2010CB126103]; National Nature Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [20925206 20932005, 20902034]
机构署名:
本校为第一且通讯机构
院系归属:
化学学院
摘要:
Herbicides targeting grass plastidic acetyl-CoA carboxylase (ACCase, EC 6.4.1.2) are selectively effective against graminicides. The intensive worldwide use of this herbicide family has selected for resistance genes in a number of grass weed species. Recently, the active-site W374C mutation was found to confer multi-drug resistance toward haloxyfop (HF), fenoxaprop (FR), Diclofop (DF), and clodinafop (CF) in A. myosuroides. In order to uncover the resistance mechanism due to W374C mutation, the binding of above-mentioned four herbicides to both...

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