Computational and Experimental Approaches to Decipher the Binding Mechanism of General Odorant-Binding Protein 2 from <i>Athetis lepigone</i> to Chlorpyrifos and Phoxim.

Zhang, Ya-Nan; Zhang, Xiao-Chun; Zhu, Rui; Yao, Wei-Chen; Xu, Ji-Wei; Wang, Meng; Ren, Jia-Yi; Xu, Cheng-Zhen; Huang, Zhuo-Ran; Zhang, Xing-Wang; Yu, Wei; Liao, Hua-Xin; Yuan, Xiao-Hui; Wu, Xiao-Min

Computational and Experimental Approaches to Decipher the Binding Mechanism of General Odorant-Binding Protein 2 from Athetis lepigone to Chlorpyrifos and Phoxim.

Zhang, Ya-Nan; Zhang, Xiao-Chun; Zhu, Rui; Yao, Wei-Chen; Xu, Ji-Wei; Wang, Meng; Ren, Jia-Yi; Xu, Cheng-Zhen; Huang, Zhuo-Ran; Zhang, Xing-Wang; Yu, Wei; Liao, Hua-Xin; Yuan, Xiao-Hui; Wu, Xiao-Min.

Zhang YN; Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Zhang XC; Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Zhu R; Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Yao WC; Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Xu JW; Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Wang M; Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Ren JY; Zhuhai College of Jilin University, Zhuhai 519041, China.
Xu CZ; Institute of Biomedicine, Jinan University, Guangzhou 510632, P. R. China.
Huang ZR; Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Zhang XW; Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Yu W; Anhui Province Key Laboratory of Pollutant Sensitive Materials and Environmental Remediation, College of Life Sciences, Huaibei Normal University, Huaibei 235000, China.
Liao HX; Zhuhai College of Jilin University, Zhuhai 519041, China.
Yuan XH; Institute of Biomedicine, Jinan University, Guangzhou 510632, P. R. China.
Wu XM; Institute of Biomedicine, Jinan University, Guangzhou 510632, P. R. China.

J Agric Food Chem ; 69(1): 88-100, 2021 Jan 13.

Article en En | MEDLINE | ID: mdl-33356208

Asunto(s)

Cloropirifos/química; Proteínas de Insectos/química; Mariposas Nocturnas/metabolismo; Compuestos Organotiofosforados/química; Receptores Odorantes/química; Receptores Odorantes/metabolismo; Animales; Cloropirifos/metabolismo; Proteínas de Insectos/metabolismo; Simulación de Dinámica Molecular; Mariposas Nocturnas/química; Compuestos Organotiofosforados/metabolismo; Unión Proteica

Palabras clave

binding affinity; computational alanine scanning (CAS); general odorant-binding protein 2 (GOBP2); molecular dynamics (MD) simulation; residue-specific force field (RSFF2C)

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Texto completo: 1 Banco de datos: MEDLINE Asunto principal: Compuestos Organotiofosforados / Receptores Odorantes / Proteínas de Insectos / Cloropirifos / Mariposas Nocturnas Límite: Animals Idioma: En Año: 2021 Tipo del documento: Article

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