Title: Interaction network of insulin resistance proteins with organophosphorus and chlorine pesticides

Authors: Amitha Joy; S. Balaji; Md. Afroz Alam

Addresses: Department of Biotechnology, Sahrdaya College of Engineering and Technology, Kodakara-680684, Thrissur, India ' Department of Biotechnology, Manipal Institute of Technology, Manipal Academy of Higher Education, Manipal 576104, Karnataka, India ' Department of Biotechnology, Karunya Institute of Technology and Sciences, Coimbatore-641114, Tamilnadu, India

Abstract: The work focuses on deciphering the underlying mechanism behind insulin resistance through exposure to pesticides. The selected organochlorine and organophosphorus pesticides were analysed for their interactions with protein targets having a regulatory role in glucose metabolism and the insulin signalling pathway. Their binding affinities were understood based on the docking studies using AutoDock. Nine pesticides gave the minimum binding energy values ranging from −5.17 kcal/mol to −9.79 kcal/mol. An interaction protein network and pesticide network was generated. The merged network, an interaction network showing the binding affinities of pesticides with protein targets is also presented. An understanding of the molecular interactions between pesticides and various protein targets can help in designing new lead molecules to treat pesticide-driven insulin resistance.

Keywords: pesticides; insulin resistance; targets; docking; organochlorine; organophosphate.

DOI: 10.1504/IJCBDD.2021.115678

International Journal of Computational Biology and Drug Design, 2021 Vol.14 No.2, pp.138 - 157

Received: 16 May 2020
Accepted: 27 Nov 2020
Published online: 16 Jun 2021 *

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