天麻素苷元同系物的定量构效关系研究  

Studies on Quantitative Structure-activity Relationship of Gastrodigenin Homologues

作　　者：谢惠定[1] 柳波[1] 黄燕[1] 郭蕴苹[1] 黄大荣[1] 

机构地区：[1]昆明医学院化学教研室,云南昆明650031

出　　处：《昆明医学院学报》2008年第5期82-84,105,共4页Journal of Kunming Medical College

基　　金：云南省教育厅基金资助项目(5Y0501C)

摘　　要：目的探讨天麻素苷元同系物的结构与惊厥活性之间的关系.方法用分子力学方法(MM2)和量子化学半经验方法(MOPAC)对天麻素苷元同系物进行了初步的定量构效关系研究.结果天麻素苷元同系物的疏水系数logP和取代基常数π与其活性有着很好的相关性.结论基本确定了天麻素苷元的药效部位,推测了其对中枢神经作用的机理,为能发现具较高抗惊厥活性天麻素苷元同系物的研究提供了基础.Objective To investigate the relationship between the structure and the anticonvulsant activity of astrodigenin homologues. Method Preparatory study on quantitative structure-activity relationship of gastrodigenin homologues was reported in this article by the calculation of molecular mechanics method （MM2） and semi-experiential method （MOPAC）. Result The logP and π of the gastrodigenin homologues have good correlation with their anticonvulsant activities. Conclusions The activity part in the molecule of gastrodigenin homologues has been determined. The mechanism that gastrodigenin homologues affect central nervous system is also presumed. This study is contributive to find a gastrodigenin homologue which has a higher anticonvulsant activity.

关 键 词：天麻素苷元同系物 定量构效关系 抗惊厥活性 

分 类 号：O641[理学—物理化学]