文献类型：期刊文献

英文题名：Computational Insights into the Different Resistance Mechanism of Imidacloprid versus Dinotefuran in Bemisia tabaci

作者：Meng, Xiaoqing[1];Zhu, Chengchun[1];Feng, Yue[1];Li, Weihua[2];Shao, Xusheng[1];Xu, Zhiping[1];Cheng, Jiagao[1,2];Li, Zhong[1,3]

机构：[1]E China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab Chem Biol, Shanghai 200237, Peoples R China;[2]E China Univ Sci & Technol, Sch Pharm, Shanghai Key Lab New Drug Design, Shanghai 200237, Peoples R China;[3]Shanghai Collaborat Innovat Ctr Biomfg Technol, 130 Meilong Rd, Shanghai 200237, Peoples R China

年份：2016

卷号：64

期号：6

起止页码：1231

外文期刊名：JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY

收录：;EI(收录号：20160902004132);WOS:【SCI-EXPANDED(收录号:WOS:000370583900002)】；

基金：This work was financial supported by the National Natural Science Foundation of China (21172070, 21572059), National High Technology Research Development Program of China (2011AA10A207), and the Fundamental Research Funds for the Central Universities.

语种：英文

外文关键词：neonicotinoids; insecticides resistance; cytochrome P450; molecular dynamics simulation; B. tabaci

摘要：Insecticide resistance is a critical problem for pest control and management. For Bemisia tabaci, striking high metabolic resistance (generally conferred by CYP6CM1) was observed for imidacloprid (IMI) and most other neonicotinoid members. However, dinotefuran (DIN) displayed very low resistance factors, which indicated distinct metabolic properties. Here, molecular modeling methods were applied to explore the different resistance features of IMI versus DIN within the Q type of CYP6CM1. It was found that Arg225 played crucial roles in the binding of IMI-CYP6CM1vQ with a cation-pi interaction and two stable H-bonds; however, such interactions were all absent in the DIN-CYP6CM1vQ system. The stable binding of IMI with CYP6CM1vQ would facilitate the following metabolic reaction, while the weak binding of DIN might disable its potential metabolism, which should be an important factor for their distinct resistance levels. The findings might facilitate future design of the antiresistance neonicotinoid molecules.