Structure-activity relationship of genotoxic polycyclic aromatic nitro compounds: further evidence for the importance of hydrophobicity and molecular orbital energies in genetic toxicity.

Abstract:

:A quantitative structure-activity relationship (QSAR) has been formulated for 15 polycyclic aromatic nitro compounds acting on E. coli PQ37. Upon damage of DNA by these substances beta-galactosidase is induced and can be easily assayed colorimetrically, hence, this is a short-term test for mutagenicity. The QSAR (log SOSIP = 1.07 log P - 1.57 epsilon LUMO - 6.41) is strikingly similar to that found earlier with nitroaromatics acting in the Ames test (TA100) and differs significantly for that found using TA98 organisms. The QSAR brings out in a unique manner the underlying similarity in the two test systems.

journal_name

Environ Mol Mutagen

authors

Debnath AK,Hansch C

doi

10.1002/em.2850200210

subject

Has Abstract

pub_date

1992-01-01 00:00:00

pages

140-4

issue

2

eissn

0893-6692

issn

1098-2280

journal_volume

20

pub_type

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