【摘要】 对 732 2系列农药应用MOPAC程序包MA1方法进行量子化学计算 ,讨论它们的电子结构特征和结构活性关系 ,并对此系列进行比较 ,为探讨并开发该类化合物的药物性能及对家蚕微粒子病的作用机理和药物分子结构设计提供指导更多还原

【Abstract】 Agriculture drug 7322and its analogs have good curative effect to microparticle disease of do mestic silkworms. In this paper, the semiexperience self consistent field MO(AM1)calculations have been undertaken for 7322 and its analogs. Their active site, way of action and structure-activity relationship have been discussed on the basis of studies of electronic structure and correlative analogs. It is found that there results show a way for composition of agriculture drugs.更多还原