13C NMR spectral data and molecular descriptors to predict the antioxidant activity of flavonoids
作者： Luciana Scotti , Mariane Balerine Fernandes , Eric Muramatsu , Vicente de Paula Emereciano , Josean Fechine Tavares
DOI: 10.1590/S1984-82502011000200005
关键词:
摘要: Tissue damage due to oxidative stress is directly linked development of many, if not all, human morbidity factors and chronic diseases. In this context, the search for dietary natural occurring molecules with antioxidant activity, such as flavonoids, has become essential. study, we investigated a set 41 flavonoids (23 flavones 18 flavonols) analyzing their structures biological activity. The experimental data were submitted QSAR (quantitative structure-activity relationships) study. NMR 13C used perform Kohonen self-organizing map weight that each carbon in Additionally, performed MLR (multilinear regression) using GA (genetic algorithms) molecular descriptors analyze role specific carbons substitutions play
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