Theoretical Insights into the Oxidative Stress-Relieving Properties of Pinocembrin—An Isolated Flavonoid from Honey and Propolis

[Image: see text] Bee products are a valuable group of substances that have a wide range of applications for humans. They contain a high level of polyphenolic compounds, which have been shown to combat radicals and effectively reduce oxidative stress. In this study, density functional theory was utilized to determine the anti-OOH activity, sequestration of free Cu(II) and Fe(III) ions, the potential pro-oxidative activity of the formed complexes, and the repairing capabilities toward essential biomolecules. The kinetic constants for scavenging of hydroperoxide radical were found to be low, with an order of magnitude not exceeding 10(–3) M(–1) s(–1). Chelating properties showed slightly more satisfactory outcomes, although most complexes exhibited pro-oxidant activity. Pinocembrin, however, proved effective in repairing oxidatively damaged biological compounds and restoring their original functionality. The study found that whilst the system displays limited type I and type II antioxidant activity, it may support the role of physiological reductants already present in the biological matrix.