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Cell Mol Life Sci

Title:		Evolutionary shifts in pheromone receptors contribute to speciation in four Helicoverpa species
Author(s):		Cao S; Shi C; Wang B; Xiu P; Wang Y; Liu Y; Wang G;
Address:		"State Key Laboratory for Biology of Plant Diseases and Insect Pests, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing, 100193, China. Shenzhen Branch, Guangdong Laboratory for Lingnan Modern Agriculture, Genome Analysis Laboratory of the Ministry of Agriculture and Rural Affairs, Agricultural Genomics Institute at Shenzhen, Chinese Academy of Agricultural Sciences, Shenzhen, 518120, China. Department of Engineering Mechanics, Zhejiang University, Hangzhou, 310027, China. College of Life Sciences, Zhejiang University, Hangzhou, 310058, China. yongwang_isb@zju.edu.cn. The Provincial International Science and Technology Cooperation Base On Engineering Biology, International Campus of Zhejiang University, Haining, 314499, China. yongwang_isb@zju.edu.cn. State Key Laboratory for Biology of Plant Diseases and Insect Pests, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing, 100193, China. yangliu@ippcaas.cn. State Key Laboratory for Biology of Plant Diseases and Insect Pests, Institute of Plant Protection, Chinese Academy of Agricultural Sciences, Beijing, 100193, China. wangguirong@caas.cn. Shenzhen Branch, Guangdong Laboratory for Lingnan Modern Agriculture, Genome Analysis Laboratory of the Ministry of Agriculture and Rural Affairs, Agricultural Genomics Institute at Shenzhen, Chinese Academy of Agricultural Sciences, Shenzhen, 518120, China. wangguirong@caas.cn"
Journal Title:		Cell Mol Life Sci
Year:		2023
Volume:		20230708
Issue:		8
Page Number:		199 -
DOI:		10.1007/s00018-023-04837-1
ISSN/ISBN:		1420-9071 (Electronic) 1420-682X (Linking)
Abstract:		"Male moths utilize their pheromone communication systems to distinguish potential mates from other sympatric species, which contributes to maintaining reproductive isolation and even drives speciation. The molecular mechanisms underlying the evolution of pheromone communication systems are usually studied between closely-related moth species for their similar but divergent traits associated with pheromone production, detection, and/or processing. In this study, we first identified the functional differentiation in two orthologous pheromone receptors, OR14b, and OR16, in four Helicoverpa species, Helicoverpa armigera, H. assulta, H. zea, and H. gelotopoeon. To understand the substrate response specificity of these two PRs, we performed all-atom molecular dynamics simulations of OR14b and OR16 based on AlphaFold2 structural prediction, and molecular docking, allowing us to predict a few key amino acids involved in substrate binding. These candidate residues were further tested and validated by site-directed mutagenesis and functional analysis. These results together identified two hydrophobic amino acids at positions 164 and 232 are the determinants of the response specificity of HarmOR14b and HzeaOR14b to Z9-14:Ald and Z9-16:Ald by directly interacting with the substrates. Interestingly, in OR16 orthologs, we found that position 66 alone determines the specific binding of Z11-16:OH, likely via allosteric interactions. Overall, we have developed an effective integrated method to identify the critical residues for substrate selectivity of ORs and elucidated the molecular mechanism of the diversification of pheromone recognition systems"
Keywords:		"Animals Male *Receptors, Pheromone/genetics/metabolism Molecular Docking Simulation Pheromones/genetics/metabolism *Moths/genetics/metabolism AlphaFold2 Helicoverpa Molecular docking Molecular dynamics simulations Pheromone receptor Site-directed mutagene;"
Notes:		"MedlineCao, Song Shi, Chen Wang, Bing Xiu, Peng Wang, Yong Liu, Yang Wang, Guirong eng 32130089/National Natural Science Foundation of China/ 32272540/National Natural Science Foundation of China/ 32072509/National Natural Science Foundation of China/ 11932017/National Natural Science Foundation of China/ 2021YFF1200404/National Key R&D Program of China/ K20220228/Fundamental Research Funds for the Central Universities of China/ 2020M680785/China Postdoctoral Science Foundation/ KQTD20180411143628272/Shenzhen Science and Technology Program/ CAAS-ZDRW202108/Central Public-interest Scientific Institution Basal Research Fund/ PT202101-02/Special Funds for Science Technology Innovation and Industrial Development of Shenzhen Dapeng New District/ Switzerland 2023/07/08 Cell Mol Life Sci. 2023 Jul 8; 80(8):199. doi: 10.1007/s00018-023-04837-1"