Improved quantitative structure-activity relationship models to predict antioxidant activity of flavonoids in chemical, enzymatic, and cellular systems.

@article{Khlebnikov2007ImprovedQS,
  title={Improved quantitative structure-activity relationship models to predict antioxidant activity of flavonoids in chemical, enzymatic, and cellular systems.},
  author={Andrei I. Khlebnikov and Igor A Schepetkin and Nina G Domina and Liliya N. Kirpotina and Mark T Quinn},
  journal={Bioorganic & medicinal chemistry},
  year={2007},
  volume={15 4},
  pages={1749-70}
}
Quantitative structure-activity relationship (QSAR) models are useful in understanding how chemical structure relates to the biological activity of natural and synthetic chemicals and for design of newer and better therapeutics. In the present study, 46 flavonoids and related polyphenols were evaluated for direct/indirect antioxidant activity in three different assay systems of increasing complexity (chemical, enzymatic, and intact phagocytes). Based on these data, two different QSAR models… CONTINUE READING