分子插件法及其在农药分子设计中的应用  

The plug-in molecules method and its application in designing of novel agrochemicals

作　　者：车传亮 杨冬燕[1] 万川[1] 王家尧[1] 刘雪莲 赵峰海 覃兆海[1] 

机构地区：[1]中国农业大学理学院,北京100193

出　　处：《农药学学报》2017年第5期533-542,共10页Chinese Journal of Pesticide Science

基　　金："十二五"国家科技支撑计划资助项目(2015BAK45B01)

摘　　要：新农药创制是一项艰难复杂的系统性工程,而新农药分子的设计是该工程的源头,也是最重要的一环。文章对传统的农药分子设计方法进行了简单的归纳总结,并在课题组多年新农药创制实践的基础上提出了一种新的设计方法——分子插件法,并以吡啶二芳酮和芳氧吡啶乙酮为例,介绍了分子插件的设计及其在新农药创制中的应用。该方法的优点在于可将功能基团模块化,便于快速衍生和筛选,从而大大缩短农药的创制周期,满足对速度竞争的要求。The discovery of new agroehemicals is a time-consuming, costly and complex systematic project. The design of new agrochemical molecule is initial and the most important part of the project. In this review, the traditional design methods of agrochemicals were briefly summarized, and a new method, the plug-in molecules method, was presented on the basis of the practice of our group. Arylpyridinylmethanone and aryloxypyridinylethanone were used as two representatives of plug-in molecules. Their design and application in pesticides discovery were sketched out. The main advantage of this new method is that the pharmacophores and functional groups were modularized, which facilitates rapid derivation and screening, shortens the period of new agrochemicals discovery and meets the demand of fierce competition.

关 键 词：分子插件 新农药创制 分子设计 

分 类 号：TQ450.1[化学工程—农药化工]