A new binding mode for ecdysteroid analog tebufenozide as a multitargeted IGR with chitinase  

作　　者：Jia-lin Cui Yan-jiao Feng Xiu-zhen Li Hong-Yan Wang Qi Hea Li Zhang Qing Yang 

机构地区：[1]Innovation Center of Pesticide Research,Department of Applied Chemistry,College of Science,China Agricultural University,Beijing,100193,China [2]Shenzhen Branch,Guangdong Laboratory of 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 [3]State Key Laboratory for Biology of Plant Diseases and Insect Pests,Institute of Plant Protection,Chinese Academy of Agricultural Sciences,Beijing 100193,China

出　　处：《Advanced Agrochem》2024年第3期229-236,共8页现代农业化学（英文）

基　　金：financially supported by the National Natural Science Foundation of China(No.22177132 and 21977114).

摘　　要：Tebufenozide,an efficient insect growth regulator(IGR)against lepidopteran pests,presents a novel mode of action with minimal non-target impact.By competing with ecdysteroids for ecdysone receptor(EcR)binding,it regulates insect growth precisely.This study explores tebufenozide's potential as a multitarget IGR,targeting both EcR and Ostrinia furnacalis chitinase I(OfChtI).The inhibitory activity against OfChtI is comparable to that of substrates(GlcNAc)5,with an IC50 of 45.77μM.Our computational findings indicate that tebufenozide binds at the subsite1 to t1 of OfChtI through various interactions.Notably,tebufenozide establishes a pi-pi interaction with the flipped sidechain of Trp107,enabling tebufenozide to deeply penetrate into the S1 pocket,thereby obstructing substrate binding to OfChtI.These insights highlight the potency of multitarget strategies,laying the groundwork for innovative IGR designs that offer comprehensive pest management solutions.

关 键 词：TEBUFENOZIDE Ecdysone receptor CHITINASE Multitarget insect growth regulator 

分 类 号：R58[医药卫生—内分泌]