Computational Insights into the Different Resistance Mechanism of Imidacloprid versus Dinotefuran in Bemisia tabaci

Journal of Agricultural and Food Chemistry
Xiaoqing MengZhong Li

Abstract

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-π 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.

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Citations

Dec 27, 2017·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Hui ZhaoGaopeng Song
Nov 23, 2018·Bulletin of Environmental Contamination and Toxicology·Shaoying WuHao Wang
Sep 19, 2019·Journal of Pesticide Science·Toshifumi NakaoShinichi Banba
May 4, 2020·Pesticide Biochemistry and Physiology·Akira HamadaShinichi Banba
Jul 11, 2021·International Journal of Biological Macromolecules·Tianhua DuYoujun Zhang

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