MNDO－PM3方法研究沙蚕毒系杀虫剂的构效关系

Studies on the Structure-activity Relationship of Nereistoxin Homologous Pesticides by MNDO-PM3 Method

用ＭＮＤＯ－ＰＭ３方法研究了沙蚕毒系化合物中二硫代磺酸盐类杀虫剂的电子结构，并建立了构效关系式。同时，对该系杀虫剂的解毒剂机理进行了初步探讨，解毒剂与杀虫剂生成复合物可能是解毒作用的重要原因。

The electronic structure of nereistoxin homologous compounds and its thiotsulfonates have been studied by MNDO-PM3 method. The equations were derived by the regression of the data obtained. The machanism of antitoxic was discussed. The information of complex between antitoxic and pesticide probably is an important factor that cause defoxication.