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

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• 作者：Xiaoqing Meng ; Chengchun Zhu ; Yue Feng ; Weihua Li ; Xusheng Shao ; Zhiping Xu ; Jiagao Cheng ; Zhong Li
• 刊名：Journal of Agricultural and Food Chemistry
• 出版年：2016
• 出版时间：February 17, 2016
• 年：2016
• 卷：64
• 期：6
• 页码：1231-1238
• 全文大小：455K
• ISSN：1520-5118

文摘

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.