【摘要】 对镰刀菌真菌毒素和相关毒素进行量子化学计算,根据电子结构及相关性质分析,结合其空间结构特点,讨论其活性部位,作用方式及构效关系.发现框架上大部分为负电荷,与受体作用时发挥供电子作用.进行了电子结构和其它相关比较,发现它们具有相似的电子结构特征,且活性部位空间结构相似,表示在与受体作用时具有共同的结构特征和作用方式.为探讨受体结构提供有效的信息.更多还原

【Abstract】 In this paper, the semiexperience selfconsistant field MO(PM3) calculations have been undertaken for the Fusaria toxins. Their active site, way of action and structure activity relationship have been discussed on the basis of structure electronic structure and correlative analogs. It is found that these results indicate a way of studing the toxins of these compounds.更多还原