Tags

Type your tag names separated by a space and hit enter

Computational Insights into the Different Resistance Mechanism of Imidacloprid versus Dinotefuran in Bemisia tabaci.
J Agric Food Chem. 2016 Feb 17; 64(6):1231-8.JA

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.

Links

Publisher Full Text (DOI)

Authors+Show Affiliations

Meng X
No affiliation info available
Zhu C
No affiliation info available
Feng Y
No affiliation info available
Li W
No affiliation info available
Shao X
No affiliation info available
Xu Z
No affiliation info available
Cheng J
No affiliation info available
Li Z
Shanghai Collaborative Innovation Center for Biomanufacturing Technology, 130 Meilong Road, Shanghai 200237, China.

MeSH

AnimalsComputational BiologyCytochrome P-450 Enzyme SystemGuanidinesHemipteraImidazolesInsect ProteinsInsecticide ResistanceInsecticidesModels, MolecularNeonicotinoidsNitro Compounds

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

26817991

Citation

Meng, Xiaoqing, et al. "Computational Insights Into the Different Resistance Mechanism of Imidacloprid Versus Dinotefuran in Bemisia Tabaci." Journal of Agricultural and Food Chemistry, vol. 64, no. 6, 2016, pp. 1231-8.
Meng X, Zhu C, Feng Y, et al. Computational Insights into the Different Resistance Mechanism of Imidacloprid versus Dinotefuran in Bemisia tabaci. J Agric Food Chem. 2016;64(6):1231-8.
Meng, X., Zhu, C., Feng, Y., Li, W., Shao, X., Xu, Z., Cheng, J., & Li, Z. (2016). Computational Insights into the Different Resistance Mechanism of Imidacloprid versus Dinotefuran in Bemisia tabaci. Journal of Agricultural and Food Chemistry, 64(6), 1231-8. https://doi.org/10.1021/acs.jafc.5b05181
Meng X, et al. Computational Insights Into the Different Resistance Mechanism of Imidacloprid Versus Dinotefuran in Bemisia Tabaci. J Agric Food Chem. 2016 Feb 17;64(6):1231-8. PubMed PMID: 26817991.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Computational Insights into the Different Resistance Mechanism of Imidacloprid versus Dinotefuran in Bemisia tabaci. AU - Meng,Xiaoqing, AU - Zhu,Chengchun, AU - Feng,Yue, AU - Li,Weihua, AU - Shao,Xusheng, AU - Xu,Zhiping, AU - Cheng,Jiagao, AU - Li,Zhong, Y1 - 2016/02/02/ PY - 2016/1/29/entrez PY - 2016/1/29/pubmed PY - 2016/10/8/medline KW - B. tabaci KW - cytochrome P450 KW - insecticides resistance KW - molecular dynamics simulation KW - neonicotinoids SP - 1231 EP - 8 JF - Journal of agricultural and food chemistry JO - J Agric Food Chem VL - 64 IS - 6 N2 - 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. SN - 1520-5118 UR - https://www.unboundmedicine.com/medline/citation/26817991/Computational_Insights_into_the_Different_Resistance_Mechanism_of_Imidacloprid_versus_Dinotefuran_in_Bemisia_tabaci_ DB - PRIME DP - Unbound Medicine ER -