摘要
使用比较分子场分析法（ＣｏＭＦＡ），对１８种抑制原卟啉原氧化酶（ＰＰＯ）的芳基三唑啉酮类化合物进行了三维定量构效关系（ＱＳＡＲ）研究，得到了具有较强预测能力的ＱＳＡＲ模型．该模型显示空间场和静电场效应在抑制ＰＰＯ活性方面均起重要作用，模型对进一步设计。
A series of 18 substituted aryltriazolinons,known to inhibit protoporphyrinogen oxidase, were investigated by using comparative molecular field analysis (CoMFA) method. A CoMFA model with considerable predictive ability was obtained.The CoMFA model illustrated that both steric effect and eletrostatic effect were important for inhibiing the PPO activity.In the guide of the CoMFA model,we cansynthsized new herbicides with better activity.
基金
天津市教委资助课题
