【摘要】 本文用 CNDO/2法计算了斑螯素及其衍生物的电子结构。探讨了这类药物的结构与抗肿瘤性和毒性的关系。提出了分子中具有共轭效应的五员杂环是发挥药效的基本条件;角甲基影响着分子的空间结构和电子结构,是抗肿瘤的必要条件;斑蝥素的毒性是由于在一定生理条件下转变成斑螯酸后与组织内的金属离子进行络合改变了肝脏内微量元素的物种分配所致。更多还原

【Abstract】 This paper calculated the electronic structures of cantharidin and its derivatives with CNDO/2method,studied the relations between the struc- ture of such drug and antitumour efficiency and toxicity,Proposed that mo- lecules having conjugated penta-hetercycle is the basic factor to bring into Paly its efficiency.Angle-methyc which influences the sterostructure and electronic structure of molecule is the necessary cendition of antitumour. Cantharidin converted into cantharidin acid can complex with metalion in issue,which changes the distribution of tiny element in liver,so canth- aridin has toxicity in certain physiological conditions.更多还原