益智酮A与姜黄色素的抗氧化性与其构效的关系  

Antioxidative Activities of Yakuchinone A and Curcumin Analysised by Molecular Mechanics and Quantumchemistry Methods

作　　者：刘红[1] 郭祀远[2] 

机构地区：[1]海南师范学院海南热带植物资源化学重点实验室,海南海口571158 [2]华南理工大学轻化工研究所,广东广州510641

出　　处：《食品科学》2006年第12期934-935,共2页Food Science

基　　金：海南省教育厅高等学校自然科学资助项目(hjkj200619);海南自然科学基金项目(80682)

摘　　要：运用分子力学和量子化学计算的方法,研究益智酮A与其类似物姜黄色素抗氧化性的构效关系。从电荷、键长和生成热之差分析益智酮A与姜黄色素的抗氧化性,结果表明益智酮A的姜黄色素因具有相同的结构而具有类似的抗氧化性,但因所带的电荷和生成热之差不同而存在抗氧化性强弱的差异。Molecular mechanics and quantumchemistry methods was used to study the effect quarititative structure-activity relationship （QSAR） on the antioxidative activities of yakuchinone A and curcumin. The energy and electronic structures of the cureumin compounds including yakuchinone A and curctunin were calculated. The change of enery and electronic stnlcture from free radicals were acounted and like curcumin compounds there the active process of the curcumin compounds dehydrogenation oxidation was take place. Results showed that the structure stabilities of curcumin and yakuchinone A are reactive to their molecular structure.

关 键 词：益智 抗氧化 构效 

分 类 号：R151.3[医药卫生—营养与食品卫生学]