Key amino acid associated with acephate detoxification by Cydia pomonella carboxylesterase based on molecular dynamics with alanine scanning and site-directed mutagenesis.

Yang, Xue Qing; Liu, Ji Yuan; Li, Xian Chun; Chen, Mao Hua; Zhang, Ya Lin

Yang, Xue Qing; Liu, Ji Yuan; Li, Xian Chun; Chen, Mao Hua; Zhang, Ya Lin.

Affiliation

Yang XQ; Key Laboratory of Plant Protection Resources & Pest Management of Ministry of Education and §Key Laboratory of Crop Pest Integrated Pest Management on the Loess Plateau of Ministry of Agriculture, Northwest A & F University , Yangling 712100, Shaanxi, China.

J Chem Inf Model ; 54(5): 1356-70, 2014 May 27.

Article in En | MEDLINE | ID: mdl-24749772

Subject(s)

Alanine; Carboxylesterase/chemistry; Carboxylesterase/metabolism; Lepidoptera/enzymology; Molecular Dynamics Simulation; Mutagenesis, Site-Directed; Organothiophosphorus Compounds/metabolism; Phosphoramides/metabolism; Amino Acid Sequence; Animals; Carboxylesterase/antagonists & inhibitors; Carboxylesterase/genetics; Enzyme Inhibitors/pharmacology; Enzyme Stability; Kinetics; Molecular Sequence Data; Organothiophosphorus Compounds/toxicity; Phosphoramides/toxicity; Protein Conformation; Sequence Homology, Amino Acid; Species Specificity; Thermodynamics

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Organothiophosphorus Compounds / Mutagenesis, Site-Directed / Carboxylesterase / Alanine / Molecular Dynamics Simulation / Phosphoramides / Lepidoptera Type of study: Risk_factors_studies Limits: Animals Language: En Journal: J Chem Inf Model Journal subject: INFORMATICA MEDICA / QUIMICA Year: 2014 Document type: Article Affiliation country: China Country of publication: United States

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