文献类型：期刊文献

中文题名：Thiazolylhydrazone dervatives as inhibitors for insect N-acetyl-β-D-hexosaminidase and chitinase

作者：Huibin Yang[1,2];Huitang Qi[3];Zesheng Hao[2];Xusheng Shao[1];Tian Liu[3];Qing Yang[3];Xuhong Qian[1]

机构：[1]Shanghai Key Laboratory of Chemical Biology,Institute of Pesticides and Pharmaceuticals,School of Pharmacy,East China University of Science and Technology,Shanghai 200237,China;[2]State Key Laboratory of the Discovery and Development of Novel Pesticide,Shenyang Sinochem Agrochemicals Research and Development Co.,Ltd.,Shenyang 110021,China;[3]School of Bioengineering,Dalian University of Technology,Dalian 116024,China

年份：2020

卷号：31

期号：5

起止页码：1271

中文期刊名：Chinese Chemical Letters

外文期刊名：中国化学快报（英文版）

收录：CSTPCD;;Scopus;CSCD:【CSCD2019_2020】；PubMed;

基金：the National Key Research and Development Program of China(Nos.2017YFD0200500,2017YFD0201400,2018YFD0200100)for the financial support。

语种：英文

中文关键词：N-acetyl-β-D-hexosaminidase;Chitinase;Inhibitor;Chitin;Structure-activity relationship;Thiazolylhydrazone derivatives;Molecular docking

摘要：Insect chitinase and N-acetyl-β-D-hexosaminidases(Hex)are potential targets for developing new pesticides.Here,a series of thiazolylhydrazonesⅠ(with substituted group R1 at N3)andⅡ(with substituted group R1 at N2)were designed,synthesised and evaluated as competitive inhibitors of OfHexl and OfChi-h,from the agricultural pest Ostrinia furnacalis,DerivativesⅠ-3 d andⅡ-3 d,with phenoxyethyl group at R1,demonstrated the best inhibitory activities against OfHexl and OfChi-h.Molecular docking analysis indicated that the branched conformation compound II-3 d(Ki=1.5μmol/L)formed more hydrogen bonds with OfHexl than the stretched conformation compound I-3 d(Ki=5.9μmol/L).The differences in compounds’binding conformations with OfChi-h explained differences in inhibitory activity of compounds I-3 d(Ki=1.9μmol/L)and II-3 d(Ki=4.1μmol/L).This work suggests a novel scaffold for developing specific Hex and Chi-h inhibitors.