【摘要】 <正> 延胡索是一种常用中药,它可分离得到一些重要成份——脱氢紫堇碱(DHC)与四氢巴马丁(THP)等。它们的结构有相似性,但药理功能不同。DHC是治疗冠心病的有效成份,THP则有较强的镇静作用,天然延胡索DHC含量较低,由半合成法制得的DHC其理化性质、药理与毒性实验均与天然DHC相似。DHC与THP(图1)的晶体结构已有测定。我们在此基础上更多还原

【Abstract】 Dehydrocorydaline (DHC) and tetrahydropalmatine (THP), two important compositions of corydalis bulbosa DC., were calculated by means of the CNDO/2 method. Using the same method, we also calculated three model ions in order to facilitate comparison. We analyzed the energy level, electric charge and bond order of these compounds and model ions. From the point of view of quantum chemistry, the different action of DHC and THP in the pharmacology was studied tentatively.更多还原