新型烯丙基香豆素化合物的设计与合成及其抗菌活性研究

项目名称： 新型烯丙基香豆素化合物的设计与合成及其抗菌活性研究

项目编号： No.21272116

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 数理科学和化学

项目作者： 章维华

作者单位： 南京农业大学

项目金额： 80万元

中文摘要： 以本课题组研发的具有杀菌高活性的T1、A 1、C 1、C2及C 3等烯丙基香豆素类新化合物为创新设计新型仿生农药的先导化合物，广泛借鉴新医药分子设计、合成、生物活性及构效关系等国内外香豆素类类化合物的最新研究成果，通过先导优化和先导展开，采用生物电子等排取代原理，对先导化合物分子各结构单元进行广泛的结构修饰，创新设计并合成多系列类似结构的新型含氟、杂环及苯并内酰胺等衍生物；开发香豆素母体苯环选择性引入C-烯丙基及C-取代烯丙基的简便方法；对目标化合物同步进行结构鉴定和抗菌活性研究，开展QSAR研究，探讨这类化合物生物活性的毒性基团和结构影响因素，优化分子设计及结构修饰，以期最终筛选出全新结构的高活性化合物，为进一步开发自主知识产权的、高效、低毒、低残留的新型仿生农药奠定基础。

中文关键词： 生物源活性分子；新农药创制；香豆素；生物合理设计；合成

英文摘要： Some new alkyl coumarins, exhibited satisfactory antibacterial activities, will be taken as leading compounds to search for novel agrochemical molecules. Based on the structural character of alkyl coumarins and the latest research result of coumarins for drug design all the world , a series of coumarin derivatives are being designed and synthesized. The idea above of structure modification will be carried out according to bioisosterism. All these derivatives are being synthesized and their structures are being comfirmed by IR, MS,NMR and so on. The bioassay research of these new compounds are being carried out during the same time. The relationships between the structure of these new derivatives and their bioactivities will be investigated acoording to the Hansch equation. And then, we intend to building up structure-bioactivities models and developing the typical QSAR studying in order to search for novel agrochemical molecules.

英文关键词： Biologically active molecule；New pesticide development；Coumarin；Biorational design；Synthesis