摘要
三唑嘧啶磺酰胺类除草剂是作用于乙酰乳酸合成酶的一类新型除草剂 .本研究利用限制性系统搜索 ,确定了活性构象 ,并用比较分子场方法 ( COMFA)研究了 2 4个化合物的三维定量构效关系 ,建立了具有较强预测能力的 3D- QSAR模型 .研究结果表明 ,影响其药效的主要因素是空间结构 .
The triazolopyrimidine herbicides are a new kind of efficiency herbicides with Acetolactate Synthase(ALS) as target. The active conformation is conformed by using systematic search, and the 3D QSAR of 24 kinds of compounds is studied with the method of COMFA. The model of 3D QSAR is found to give suggestion for designing new compound. The steric structure is the main effect on the herbicidal activity as results.
基金
天津市教委自然科学基金!资助项目 (972 0 3)
