对亮氨酸脑啡肽进行了量子化学(INDO)计算,研究其电子结构特征,讨论其活性部位、作用机理及构效关系。同吗啡和R31833进行了活性部位的电子结构与空间结构比较,推断它们的活性药效结构具有共同特点,与阿片受体相互作用时作用方式相同,作用部位有对应关系,因而具有相同的药理性质。 Quantitative chemical analysis of leucine enkephalin (INDO) has been carried out to study its electronic structure and its active site, its mechanism of action and its structure-activity relationship. Compared with morphine and R31833, the electronic structures and spatial structures of the active sites were compared. It is concluded that their active pharmacodynamic structures have the same characteristics. They have the same mode of action when interacting with opioid receptors, and have the same relationship with each other. Therefore, they have the same pharmacological properties .