LUMO energies and hydrophobicity as determinants of mutagenicity by nitroaromatic compounds in Salmonella typhimurium

Journal Article · Mon Jan 01 00:00:00 EST 1990 · Environmental and Molecular Mutagenesis; (USA)

DOI:https://doi.org/10.1002/em.2850150107· OSTI ID:5718066

Lopez de Compadre, R L; Debnath, A K; Hansch, C ^[1]; Shusterman, A J ^[2]

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1. Pomona College, Claremont, CA (USA)
2. Reed College, Portland, OR (USA)

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.

• OSTI ID: 5718066
• Journal Information: Environmental and Molecular Mutagenesis; (USA), Vol. 15:1; ISSN 0893-6692
• Country of Publication: United States
• Language: English

Related Subjects

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTANT EFFECTS ON LIVING ORGS. AND BIOL. MAT.
NITRO COMPOUNDS
MUTAGEN SCREENING
POLYCYCLIC AROMATIC HYDROCARBONS
STRUCTURE-ACTIVITY RELATIONSHIPS
NITROBENZENE
OXIDOREDUCTASES
SALMONELLA TYPHIMURIUM
XANTHINES
AROMATICS
AZAARENES
BACTERIA
ENZYMES
HETEROCYCLIC COMPOUNDS
HYDROCARBONS
MICROORGANISMS
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
PURINES
SALMONELLA
SCREENING
560300* - Chemicals Metabolism & Toxicology