苯酚类抗癌药的药效机制及其QSAR研究  

Efficacy of Medicine Mechanism and its QSAR Researchs of the Anticancer Medicine in Phenol Compound

作　　者：李峰[1] 周源[1] 

机构地区：[1]湖南师范大学医学院基础医学系,湖南长沙410006

出　　处：《癌变．畸变．突变》2004年第4期229-231,共3页Carcinogenesis,Teratogenesis & Mutagenesis

摘　　要：背景与目的:酚类化合物抗癌研究近年来受到重视。该类化合物对癌细胞有选择性杀伤作用,其抗癌活性与酚氧化成醌的难易程度相关。材料与方法:本文将量子化学中扩展的H櫣ｃｋｅｌ分子轨道法和计算机模式识别法相结合,研究酚类及其衍生物的定量构效关系(QSAR) ,探寻该类化合物的量子化学特征参数,采用逐步回归法得到其Hansch方程。结果:分析活性部位和药效大小,结论:说明在邻对位与间位引入强供电子基则生物活性出现明显差异。BACKGROUND&AIM: The anticancer research in Phenol compound has been attached great importance in recent years.This kind of compound has a selective killing function on the cancer cells.Its anticancer activaˉtion is related to the degree that phenol oxidizes with kuinone. MATERIAL AND METHODS: This essay combines the method of H ckel molecule orbit expanded in the quantum chemistry with the method of distinguishing computer mode,studies of the quantitative structure_activity relationships(QSAR)of phenol and its derivatives and explores the parameter of the quantum chemistry characteristic of this kind of chemical compound,and gets the equation of Hansch by adopting the returning method. RESULTS: It analyzes the live part and the medicione size of effect. CONCLUSION: It shows the obvious difference of biololgical activation of strong power supply electric group led into by the neighbouring,opposite place and the separate place.

关 键 词：酚类化合物 抗癌活性 定量构效关系 EHMO法 

分 类 号：R733[医药卫生—肿瘤]