摘要
以大鼠游离肝细胞半数中毒浓度（ＴＣ５０）和细胞逸出酶（ＳＤＨ和ＬＤＨ）为观察指标，研究了２５种苯胺类化合物的肝细胞毒性，并利用这些毒性效应数据为因变量，以这些化合物的１０种拓扑学指数为自变量，利用多元逐步回归统计分析方法进行了定量结构－活性关系（ＱＳＡＲ）的深入探讨。结果表明，化合物的结构不同则毒性不同，３个ＱＳＡＲ方程中影响毒性的主要结构参数有分子连接性指数０ｘｖ、１ｘｖ，２ｘｖ、３ｘｖｃ和分子负熵Ｉ。实验得出的３个ＱＳＡＲ方程能够较好地预测苯胺类化合物的毒性。
This study investigated toxicity of 25 aminobenzene derivatives with cellular median toxic concentration(TC 50 ) of isolated rat hepatocytes and enzymes(SDH and LDH) leaked from hepatocytes.These toxic data(TC 50 ,SDH and LDH) were used as dependent variable and 10 topological indices of 25 aminobenzene derivatives were used as independent variable.QSAR was analyzed with multiple stepwise linear regression.The results indicated that there is different toxicity with different structure of compounds.The principal structure parameters in three QSAR equations to affect hepa to toxicity were molecular connectivity indices( 0X V, 1X V, 2X V, 3X V C) and molecular negentropy(Ⅰ).Three equations obtained in this paper could predict the toxicity of aminobenzene derivatives. \ \
出处
《卫生毒理学杂志》
CSCD
1999年第1期26-30,共5页
Journal of Health Toxicology
关键词
定量结构
活性关系
肝细胞
细胞毒性
苯胺类
quantitative structure activity relationships(QSAR)
isolated rat hepatocytes
topological indices
cytotoxicity.
