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Discovery of multi-chitinase inhibitors cinnamyl thiazolidinone compounds as candidates for insect growth regulators via ligand-based optimization strategies

文献类型：期刊论文

作者Jiang, Zhiyang1,2; Shi, Dongmei1,2; Fu, Haoyu1,2; Li, Yan6; Zou, Renxuan1,2; He, Ziqi1,2; Shi, Jie1,2; Shen, Lijuan1,2; Tang, Bin; Xu, Zhijian5
刊名INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
出版日期2025-05-01
卷号306页码:14
关键词Multi-chitinase inhibitor Cinnamaldehyde compounds Thiazolidinone compounds Ligand-based optimization Insect growth regulators (IGRs)
ISSN号0141-8130
DOI10.1016/j.ijbiomac.2025.141805
通讯作者Yang, Qing(qingyang@caas.cn) ; Duan, Hongxia(hxduan@cau.edu.cn)
英文摘要Chitinases are recognized as potential targets to develop novel insecticides to control lepidopteran pests. However, the design and development of effective multi-chitinase inhibitors remains a huge challenge. Based on the backgrounds, in this study, we designed and synthesized a series of cinnamyl-thiazolidinedione compounds as potential inhibitors against OfChtI, OfChtII and OfChi-h, for the first time, by integrating strategies including fragment replacement, 3D QSAR-guided design, and bioelectronic isosteric replacement. Among all synthesized compounds, those displayed substantial activities against three chitinases, such as 5f and 9m, simultaneously demonstrated significant larvicidal activities and growth regulation effects against various lepidopteran pests. Inhibition mechanism studies indicated that the pi interactions, hydrophobic stacking, and electrostatic interactions between cinnamyl-thiazolidinone compounds and the conserved aromatic tryptophan and phenylalanine residues, as well as the polar asparagine residues in three chitinases, were crucial for their interactions. Furthermore, the qPCR experiment suggested that cinnamyl-thiazolidinone compounds could regulate the chitin metabolism pathway of Ostrinia furnacalis in vivo. This study provides the first successful example of developing novel multi-chitinase inhibitors through ligand-based optimization strategies, offering promising candidates for controlling lepidopteran pests.
WOS关键词ANALYSIS COMSIA ; DERIVATIVES ; HYDROLYSIS ; CATALYSIS ; DESIGN
资助项目National Key R & D Pro-gram of China[2022YFD1700200] ; State Key Laboratory for Biology of Plant Diseases and Insect Pests[SKLOF202306] ; National Natural Science Foundation of China[32172445]
WOS研究方向Biochemistry & Molecular Biology ; Chemistry ; Polymer Science
语种英语
WOS记录号WOS:001443724100001
出版者ELSEVIER
源URL[http://119.78.100.183/handle/2S10ELR8/316656]  
专题中国科学院上海药物研究所
通讯作者Yang, Qing; Duan, Hongxia
作者单位1.China Agr Univ, Key Lab, Natl Forestry & Grassland Adm Pest Chem Control, Beijing 100193, Peoples R China
2.China Agr Univ, Coll Sci, Innovat Ctr Pesticide Res, Dept Appl Chem, Beijing 100193, Peoples R China
3.Chinese Acad Agr Sci, Shenzhen Agr Genome Res Inst, Beijing 100193, Peoples R China
4.Chinese Acad Agr Sci, Inst Plant Protect, State Key Lab Biol Plant Dis & Insect Pests, Beijing 100193, Peoples R China
5.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, CAS Key Lab Receptor Res, Shanghai 201203, Peoples R China
6.Hangzhou Normal Univ, Coll Life & Environm Sci, Hangzhou 311121, Peoples R China
推荐引用方式
GB/T 7714		 Jiang, Zhiyang,Shi, Dongmei,Fu, Haoyu,et al. Discovery of multi-chitinase inhibitors cinnamyl thiazolidinone compounds as candidates for insect growth regulators via ligand-based optimization strategies[J]. INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,2025,306:14.
APA Jiang, Zhiyang.,Shi, Dongmei.,Fu, Haoyu.,Li, Yan.,Zou, Renxuan.,...&Duan, Hongxia.(2025).Discovery of multi-chitinase inhibitors cinnamyl thiazolidinone compounds as candidates for insect growth regulators via ligand-based optimization strategies.INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,306,14.
MLA Jiang, Zhiyang,et al."Discovery of multi-chitinase inhibitors cinnamyl thiazolidinone compounds as candidates for insect growth regulators via ligand-based optimization strategies".INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES 306(2025):14.

入库方式： OAI收割

来源：上海药物研究所

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