新型杀菌剂fluoxytioconazole的合成与杀菌活性  

Synthesis and fungicidal activity of novel fungicide fluoxytioconazole

作　　者：田磊 杜晓文 张傲 毕庆杰 张静[1,2,3] 张立新[1,2,3] TIAN Lei;DU Xiaowen;ZHANG Ao;BI Qingjie;ZHANG Jing;ZHANG Lixin(Institute of Functional Molecules,Shenyang University of Chemical Technology,Liaoning Province Key Laboratory of Green Functional Molecular Design and Development,Shenyang Key Laboratory of Targeted Pesticides,Shenyang 110142,China;College of Chemical Engineering,Liaoning University of Science and Technology,Anshan 114051,Liaoning,China;Metisa Biotechnology Co.,Ltd.,Nanning 530000,China)

机构地区：[1]沈阳化工大学功能分子研究所,辽宁省绿色功能分子设计与开发重点实验室,沈阳市靶向农药重点实验室,沈阳110142 [2]辽宁科技大学化学工程学院,辽宁鞍山114051 [3]广西思钺生物科技有限责任公司,南宁530000

出　　处：《农药》2024年第10期717-722,共6页Agrochemicals

基　　金：辽宁省“揭榜挂帅”科技攻关计划项目(2022JH1/10400018);辽宁省自然科学基金计划(2022-KF-15-04);国家自然科学基金(22277081)。

摘　　要：[目的]探索fluoxytioconazole在农业中真菌防治领域的应用前景。[方法]以4-氟苯腈为原料,经7步反应制得目标化合物fluoxytioconazole,并对其杀菌活性进行测试。选取真菌甾醇-14α-去甲基化酶(CYP51)与目标化合物进行分子对接。[结果]杀菌活性测试结果表明,质量浓度为3.125 mg/L下,fluoxytioconazole对小麦白粉病的防效高达93%,对大豆锈病的防效高达98%,抗菌活性表现良好。分子对接结果表明,fluoxytioconazole与受体蛋白之间存在氢键、疏水作用,具有较强的亲和力。[结论]Fluoxytioconazole在农业真菌防治领域具有十分广阔的应用前景。[Aims]This study aims to explore the application prospects of fluoxytioconazole in the field of fungal control in agriculture.[Methods]The target compound fluoxytioconazole was prepared from 4-fluorobenzonitrile in 7 steps and tested for its fungicidal activities.Sterol-14α-demethylase(CYP51)was selected for molecular docking with the target compound.[Results]The results of fungicidal activity test showed that fluoxytioconazole performed well against wheat powdery mildew and soybean rust,with efficacy up to 93%and 98%,at the mass concentration of 3.125 mg/L.The molecular docking results showed that fluoxytioconazole had strong affinity for the receptor protein by hydrogen bonding and hydrophobic interaction.[Conclusions]Fluoxytioconazole has a very broad application prospect in the field of agricultural fungal control.

关 键 词：fluoxytioconazole 合成 分子对接 真菌甾醇-14α-去甲基化酶 杀菌活性 

分 类 号：TQ453[化学工程—农药化工]