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Computational and experimental insight into the molecular mechanism of carboxamide inhibitors of succinate-ubquinone oxidoreductase

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成果类型:
期刊论文
作者:
Zhu, Xiao-Lei;Xiong, Li;Li, Hui;Song, Xin-Ya;Liu, Jing-Jing;...
通讯作者:
Yang, Guang-Fu
作者机构:
[Yang, Guang-Fu; Zhu, Xiao-Lei; Xiong, Li; Liu, Jing-Jing; Song, Xin-Ya; Li, Hui] Cent China Normal Univ, Minist Educ, Coll Chem, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
[Yang, Guang-Fu] Collaborat Innovat Ctr Chem Sci & Engn, Tianjin 30071, Peoples R China.
[Yang, Guang-Fu] Cent China Normal Univ, Coll Chem, Wuhan 430079, Peoples R China.
通讯机构:
[Yang, Guang-Fu] C
Cent China Normal Univ, Minist Educ, Coll Chem, Key Lab Pesticide & Chem Biol, Wuhan 430079, Peoples R China.
语种:
英文
关键词:
inhibitors;MM/PBSA;molecular docking;succinate dehydrogenase;succinate-ubiquinone oxidoreductase
期刊:
ChemMedChem
ISSN:
1860-7179
年:
2014
卷:
9
期:
7
页码:
1512-1521
基金类别:
National Basic Research Program of ChinaNational Basic Research Program of China [2010CB126103]; NSFCNational Natural Science Foundation of China (NSFC) [21102052, 20932005, 20925206, 20902034, 21272092]; National Key Technologies RD ProgramNational Key Technology R&D Program [2011BAE06B05]
机构署名:
本校为第一且通讯机构
院系归属:
化学学院
摘要:
Succinate-ubiquinone oxidoreductase (SQR, EC 1.3.5.1), also known as mitochondrial respiratory complex II or succinate dehydrogenase (SDH), catalyzes the oxidation of succinate to fumarate as part of the tricarboxylic acid cycle. SQR has been identified as a novel target of a large family of agricultural fungicides. However, the detailed mechanism of action between the fungicides and SQR is still unclear, and the bioactive conformation of fungicides in the SQR binding pocket has not been identified. In this study, the kinetics of porcine SQR in...

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