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Type: Artigo de periódico
Title: QSAR study of inibition by coumarins of IQ induced mutation in S-typhimurium TA98
Author: Okamoto, AK
Gaudio, AC
Marque, ADS
Takahata, Y
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), epsilon(HOMO-1)-epsilon(HOMO-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. (c) 2005 Elsevier B.V. All rights reserved.
Subject: coumarins
Salmonella typhimurium
Country: Holanda
Editor: Elsevier Science Bv
Rights: fechado
Identifier DOI: 10.1016/j.theochem.2005.01.052
Date Issue: 2005
Appears in Collections:Unicamp - Artigos e Outros Documentos

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