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Simple and α,β-unsaturated aldehydes: Correct prediction of genotoxic activity through structure–activity relationship models

✍ Scribed by Romualdo Benigni; Luigi Conti; Riccardo Crebelli; Andrea Rodomonte; Maria Rosaria Vari'

Publisher
John Wiley and Sons
Year
2005
Tongue
English
Weight
150 KB
Volume
46
Category
Article
ISSN
0893-6692

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✦ Synopsis

Aldehydes are widespread environmental and industrial compounds, able to stimulate a range of adverse health effects (e.g., general toxicity, allergenic reactions, mutagenicity, and carcinogenicity). We have previously presented quantitative structure-activity relationships (QSARs) for the genotoxicity of simple and a,b-unsaturated aliphatic aldehydes. In this study, we show that the QSAR models are able to correctly predict-based only on the knowledge of the chemical structure--the genotoxicity of other aldehydes, not considered in the development phase of the models. This adds confidence to the reliability of our QSAR models as tools for the theoretical assessment of the genotoxic hazard posed by aldehydes. The analysis of SOS Chromotest induction ability and the ease of formation of DNA adducts by the aldehydes provided further mechanistic insights.

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