LUMO ENERGIES AND HYDROPHOBICITY AS DETERMINANTS OF MUTAGENICITY BY NITROAROMATIC COMPOUNDS IN SALMONELLA-TYPHIMURIUM

被引：37

作者：

DECOMPADRE, RLL

DEBNATH, AK

SHUSTERMAN, AJ

HANSCH, C

机构：

[1] POMONA COLL,DEPT CHEM,CLAREMONT,CA 91711

[2] REED COLL,DEPT CHEM,PORTLAND,OR 97202

来源：

ENVIRONMENTAL AND MOLECULAR MUTAGENESIS | 1990年 / 15卷 / 01期

关键词：

mutagenic nitroaromatic compounds; QSAR of mutagens; structure activity relationship;

D O I：

10.1002/em.2850150107

中图分类号：

X [环境科学、安全科学];

学科分类号：

08 ; 0830 ;

摘要：

Quantitative structure‐activity relationships have been derived for the mutagenic activity of 47 nitroaromatic compounds acting on Salmonella typhimurium (TA100) and 66 acting on TA98. The mutagenicity is linearly dependent on the energy of the lowest occupied molecular orbital and bilinearly dependent on the hydrophobicity (octanol/water log P) of the mutagens. The mechanism of action is considered in the light of these findings. Copyright © 1990 Wiley‐Liss, Inc., A Wiley Company

引用

页码：44 / 55

页数：12

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