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Novel 5-alkenylthiothiazolidinone scaffold discovery as Multi-Chitinases inhibitors to arrest the molting of Asian corn borer

文献类型：期刊论文

作者Shi, Dongmei4,5; Ji, Xinge4,5; Zou, Renxuan4,5; Jiang, Zhiyang4,5; Duan, Yangwei1,2; Han, Qing4,5; Xu, Zhijian3; Huang, Jiaxing4,5; Yang, Qing1,2; Duan, Hongxia4,5
刊名JOURNAL OF MOLECULAR STRUCTURE
出版日期2025-02-05
卷号1321页码:11
关键词5-alkenylthiothiazolidinone scaffold Multichitinase inhibitor Amide bond Asian corn borer insect growth regulator
ISSN号0022-2860
DOI10.1016/j.molstruc.2024.140058
通讯作者Yang, Qing(qingyang@caas.cn) ; Duan, Hongxia(hxduan@cau.edu.cn)
英文摘要Chitinases are crucial enzymes in insect growth and development processes and have thus become potential targets for the control of insect pests. Rhodanine (5-alkenylthiothiazolidinone) is an important fragment with various biological activities in agriculture. Therefore, 24 novel 5-alkenylthiothiazolidinone derivatives were designed and synthesized by introducing a hydrophobic hydrocarbon chain and a benzylformamide group on the basis of the conserved binding cavity of three chitinases, OfChtI, OfChtII and OfChi-h. These 5-alkenylthiothiazolidinone analogs were found for the first time to have inhibitory effects on OfChtII, except for their ability to inhibit the other two known chitinases, OfChtI and OfChi-h. The inhibitory activities of the target compounds against OfChtI and OfChi-h ranged from 40 % to 95 % at a concentration of 100 mu M. In particular, some compounds were also found to have an inhibitory rate of 50 % against OfChtII. Among them, the Ki values of the most potent compound 5e-9 were 5.82, 27.5 and 6.77 mu M against OfChtI, OfChtII and OfChi-h, respectively. The inhibition mechanism studies revealed that both pi stacking interactions and hydrophobic interactions were vital for the binding of Compound 5e-9 with the three chitinases. A lethal and sublethal bioassay study revealed that Compound 5e-9 could affect the growth and development of Asian corn borers. This work suggested that 5-alkenylthiothiazolidinone could be a novel inhibitor scaffold against multichitinase for the development of insect growth regulators.
WOS关键词GENES ; SYNTHASES ; CATALYSIS ; RHODANINE ; INSECTS ; ENZYMES
资助项目State Key Laboratory for Biology of Plant Diseases and Insect Pests[SKLOF202306] ; Shenzhen Science and Technology Program[KQTD20180411143628272]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:001318950200001
出版者ELSEVIER
源URL[http://119.78.100.183/handle/2S10ELR8/313451]  
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.Chinese Acad Agr Sci, Shenzhen Agr Genome Res Inst, Beijing 100193, Peoples R China
2.Chinese Acad Agr Sci, Inst Plant Protect, State Key Lab Biol Plant Dis & Insect Pests, Beijing 100193, Peoples R China
3.Chinese Acad Sci, Shanghai Inst Mat Med, Drug Discovery & Design Ctr, CAS Key Lab Receptor Res, Shanghai 201203, Peoples R China
4.Key Lab Natl Forestry & Grassland Adm Pest Chem Co, Beijing 100193, Peoples R China
5.China Agr Univ, Coll Sci, Innovat Ctr Pesticide Res, Dept Appl Chem, Beijing 100193, Peoples R China
推荐引用方式
GB/T 7714		 Shi, Dongmei,Ji, Xinge,Zou, Renxuan,et al. Novel 5-alkenylthiothiazolidinone scaffold discovery as Multi-Chitinases inhibitors to arrest the molting of Asian corn borer[J]. JOURNAL OF MOLECULAR STRUCTURE,2025,1321:11.
APA Shi, Dongmei.,Ji, Xinge.,Zou, Renxuan.,Jiang, Zhiyang.,Duan, Yangwei.,...&Duan, Hongxia.(2025).Novel 5-alkenylthiothiazolidinone scaffold discovery as Multi-Chitinases inhibitors to arrest the molting of Asian corn borer.JOURNAL OF MOLECULAR STRUCTURE,1321,11.
MLA Shi, Dongmei,et al."Novel 5-alkenylthiothiazolidinone scaffold discovery as Multi-Chitinases inhibitors to arrest the molting of Asian corn borer".JOURNAL OF MOLECULAR STRUCTURE 1321(2025):11.

入库方式： OAI收割

来源：上海药物研究所

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