Comparative QSAR evidence for a free-radical mechanism of phenol-induced toxicity.

  title={Comparative QSAR evidence for a free-radical mechanism of phenol-induced toxicity.},
  author={C. Hansch and S. McKarns and C. Smith and D. Doolittle},
  journal={Chemico-biological interactions},
  volume={127 1},
  • C. Hansch, S. McKarns, +1 author D. Doolittle
  • Published 2000
  • Chemistry, Medicine
  • Chemico-biological interactions
  • Phenol and 14 substituted-phenols were tested for their ability to impair epithelial cell membrane integrity in WB rat liver cells as determined by an increase in lactate dehydrogenase release. Two quantitative structure-activity relationship (QSAR) regression equations were developed which showed that separate mechanisms of phenolic cytotoxicity are important - nonspecific toxicity due to hydrophobicity and formation of phenoxyl radicals. The equations most predictive of phenol toxicity are… CONTINUE READING
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