厚朴酚分子特性与生物活性量子化学研究  

Quantum Chemical Studies of the Molecular Characteristic and Biology Activity of Magnolol

作　　者：常勇慧[1] 翁时畅[1] 陈兰晴[1] 刘玲[1] 

机构地区：[1]海南师范大学化学与化工学院,海口571158

出　　处：《湖北农业科学》2014年第1期181-183,共3页Hubei Agricultural Sciences

基　　金：海南省教育厅高校科研资助项目(Hjkj2010-27);海南省大学生创新创业训练计划项目(2013116580)

摘　　要：厚朴酚抗癌活性研究已有报道,通过B3LYP/6-31+G方法计算得到厚朴酚稳定构型,并结合电子拓扑分析研讨了厚朴酚的分子特性。从前线轨道图、静电势图等角度分析了厚朴酚的抗癌活性因素。Studies on the anticancer activity of magnolol have been widely reported. In this study magnolol stable configuration was calculated by B3LYP/6-31 ＋G method, and combined with the electronic topological analysis to discuss magnolol molecular properties. And the anticancer activity factors of magnolol were analyzed from the frontier orbital diagram and the electrostatic potential figures.

关 键 词：厚朴酚 前线轨道理论 静电势图 

分 类 号：R979.1[医药卫生—药品]