Comparative QSAR: On the toxicology of the phenolic OH moiety

被引:39
作者
Garg, R [1 ]
Kurup, A [1 ]
Hansch, C [1 ]
机构
[1] Pomona Coll, Dept Chem, Claremont, CA 91711 USA
关键词
comparative QSAR; phenols; toxicity; inhibition; free radicals;
D O I
10.1080/20014091111686
中图分类号
R99 [毒物学(毒理学)];
学科分类号
100405 ;
摘要
In this report we consider the effect of substituents on phenol toxicity and show how the parameters used in Quantitative Structure-Activity Relationships (QSAR) can be used to draw mechanistic inferences of value in understanding the reasons behind the various types of toxicity. In particular, we are interested in gaining clearer insight into mechanisms via the Hammett-type parameters sigma, sigma (-), sigma (+) and octanol/water partition coefficients. Particular attention is given to the role of radical reactions and their role in attacking DNA to cause cancer or estrogenic toxicity.
引用
收藏
页码:223 / 245
页数:23
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