| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9591225 | Journal of Molecular Structure: THEOCHEM | 2005 | 8 Pages |
Abstract
Coumarin and its analogs inhibit the mutagenicity of 2-amino-3-methylimidazo[4,5-f] quinoline (IQ) in Salmonella typhimurium TA98. A quantitative structure-activity relationship (QSAR) study revealed that the antimutagenic activity of coumarins is related to the energy gap between levels one and two bellow the highest occupied molecular orbital (HOMO), εHOMO-1-εHOMO-2. The QSAR model suggests that the inhibition involves a direct interaction between the coumarins and the cytochromes CYP that activate IQ to a mutagen.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Andre Kimura Okamoto, Anderson Coser Gaudio, Alberto dos Santos Marques, Yuji Takahata,