Computational protocol: In Vitro Antioxidant versus Metal Ion Chelating Properties of Flavonoids: A Structure-Activity Investigation

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Protocol publication

[…] Microvolumes of concentrated FeNTA, Cu(II) or Zn(II) salts were added to 2 mL of the flavonoid solution (2–5 × 10−5 M) in a 1 cm path length optical Hellma cell. The corresponding UV-Vis. spectra were recorded from 230 nm to 800 nm to follow the evolution of complexation on a Cary 50 (Varian) or a Cary 5000 (Agilent) spectrophotometer maintained at (25.0 ± 2°C. The spectrophotometric data were then analyzed with Specfit [] program which adjusts the absorptivities and the stability constants of the species formed at equilibrium. Specfit uses factor analysis to reduce the absorbance matrix and to extract the eigenvalues prior to the multiwavelength fit of the reduced data set according to the Marquardt algorithm[, ]. [...] The results are presented as means ± standard deviations of at least three repetitions. Significant difference s (P<0.05) or (P<0.01) were determined by paired Student t-test to compare means between controls and treated RBC’s. All tests were performed using STATISTICA-8 program (StatSoft, Tulsa, OK). […]

Pipeline specifications

Software tools SpecOMS, Statistica
Applications Miscellaneous, MS-based untargeted proteomics
Organisms Homo sapiens
Diseases Drug-Related Side Effects and Adverse Reactions
Chemicals Catechin, Flavonoids, Glutathione, Malondialdehyde, Quercetin, Rutin