林产化学与工业2022，Vol.42Issue(5)：45-55,11.DOI:10.3969/j.issn.0253-2417.2022.05.007
含偕二甲基环丙烷的1,3,4-噻二唑-硫脲化合物的合成、抑菌活性及3D-QSAR研究
Synthesis,Antifungal Activity and 3D-QSAR Study of Novel 1,3,4-Thiadiazole-Thiourea Compounds Containing gem-Dimethylcyclopropane Ring
摘要
Abstract
A series of novel 1,3,4-thiadiazole-thiourea compounds containing gem-dimethylcyclopropane ring 8a-8t were designed and synthesized by multi-step reactions in search of novel antifungal molecules.Structures of all target compounds were characterized by FT-IR,1H NMR,13C NMR,ESI-MS and elemental analysis.The antifungal activities of the target compounds were preliminarily evaluated.The bioassay results revealed that,at 50 mg/L,the inhibitory rate of compound 8l(R=m-BrC6H4)against P.piricola was 79.5%,which was better than that of the positive control chlorothalonil.In order to design more effective antifungal compounds against P.piricola,analysis of the three-dimensional quantitative structure-activity relationship(3D-QSAR)was performed using the comparative molecular field analysis(CoMFA)method.The reasonable and effective 3D-QSAR model(r2 =0.991,q2 =0.514)was established.关键词
3-蒈烯/偕二甲基环丙烷/1,3,4-噻二唑-硫脲/抗植物病原菌活性/3D-QSARKey words
3-carene/gem-dimethylcyclopropane ring/1,3,4-thiadiazole-thiourea/antifungal activity/3D-QSAR分类
化学化工引用本文复制引用
邹壬萱,段文贵,林桂汕,李宝谕,崔玉成..含偕二甲基环丙烷的1,3,4-噻二唑-硫脲化合物的合成、抑菌活性及3D-QSAR研究[J].林产化学与工业,2022,42(5):45-55,11.基金项目
国家自然科学基金资助项目(31870556) （31870556）
