Comparative QSAR: Radical Toxicity and Scavenging. Two Different Sides of the Same Coin |
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Authors: | C Hansch L Zhang |
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Institution: | Chemistry Department , Pomona College , 645 N. College Avenue, Claremont , California , 91711–6338 , USA |
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Abstract: | Abstract From an analysis of the toxicity of phenols to rat embryos and anilines to embryo fibroblast cells a new type of toxicity is postulated for these classes of compounds. Substituents which increase the electron density on the aromatic ring as estimated by σ+ or εHOMO increase potency. It is postulated that it is the radical form of the phenols and the anilines that accounts for their toxicity. The results are compared with QSAR for radical scavengers and oxidoreductases acting on phenols, anilines and carbazoles. |
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Keywords: | QSAR of radical toxicity QSAR of radical scavengers QSAR of oxidoreductases |
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