Structural and functional characterization of allatostatin receptor type-C of Thaumetopoea pityocampa, a potential target for next-generation pest control agents

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Item Type:	Article
Title:	Structural and functional characterization of allatostatin receptor type-C of Thaumetopoea pityocampa, a potential target for next-generation pest control agents
Creators Name:	Shahraki, A., Işbilir, A., Dogan, B., Lohse, M.J., Durdagi, S. and Birgul-Iyison, N.
Abstract:	Insect neuropeptide receptors, including allatostatin receptor type C (AstR-C), a G protein-coupled receptor, are among the potential targets for designing next-generation pesticides that despite their importance in offering a new mode-of-action have been overlooked. Focusing on AstR-C of Thaumetopoea pityocampa, a common pest in Mediterranean countries, by employing resonance energy transfer-based methods, we showed Gαi/o coupling and β-arrestin recruitment of the receptor at sub-nanomolar and nanomolar ranges of the endogenous ligand, AST-C, respectively. Molecular docking and molecular dynamics simulation studies revealed the importance of extracellular loop 2 in AstRC/AST-C interaction, and a combination of in silico and in vitro approaches showed the substantial role of Q271(6.55) in G protein-dependent activation of AstR-C possibly via contributing to the flexibility of the receptor's structure. The functional and structural insights obtained on T. pit AstR-C positively assist future efforts in developing environmentally friendly pest control agents that are needed urgently.
Keywords:	G-Protein-Coupled Receptors, Molecular Docking Simulation, Neuropeptides, Pest Control
Source:	Journal of Chemical Information and Modeling
ISSN:	1549-9596
Publisher:	American Chemical Society
Volume:	61
Number:	2
Page Range:	715-728
Date:	22 February 2021
Official Publication:	https://doi.org/10.1021/acs.jcim.0c00985
PubMed:	View item in PubMed

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