THE STRUCTURE-ACTIVITY RELATIONSHIP OF SKIN CARCINOGENICITY OF AROMATIC-HYDROCARBONS AND HETEROCYCLES

被引:50
作者
ZHANG, LT [1 ]
SANNES, K [1 ]
SHUSTERMAN, AJ [1 ]
HANSCH, C [1 ]
机构
[1] REED COLL,DEPT CHEM,PORTLAND,OR 97202
关键词
STRUCTURE-ACTIVITY RELATIONSHIP; CARCINOGENICITY; POLYCYCLIC AROMATIC COMPOUNDS; SKIN CANCER;
D O I
10.1016/0009-2797(92)90032-G
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
From a study of 239 aromatic and heteroaromatic compounds causing skin cancer in mice, a quantitative structure-activity relationship has been derived. Carcinogenicity depends heavily on the relative hydrophobicity of the chemicals as defined by octanol/water partition coefficients (log P). It is also correlated with the energy of the highest occupied molecular orbital and the presence of substituents on the L and K regions of the carcinogen. The results are discussed in terms of the bay region concept for carcinogenic activity.
引用
收藏
页码:149 / 180
页数:32
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