Comprehensive Evaluation of Peonidin: Antioxidant and Multi-Enzyme Inhibitory Abilities with Molecular Docking Insights

Anthocyanins are water-soluble plant pigments. They give many plants, fruits, vegetables, and cereal kernels their red, purple, and blue colors. This research aims to reveal the biological properties of peonidin as an anthocyanin. To comprehend the antioxidant capabilities of peonidin, 2,2 '-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid) radical (ABTS center dot+), N,N-dimethyl-p-phenylenediamine dihydrochloride radical (DMPD center dot+), and 1,1-diphenyl-2-picrylhydrazyl free radical (DPPH center dot) scavenging, Fe3+-2,4,6-tris(2-pyridyl)-s-triazine (TPTZ), and Cu2+ reducing assays were recorded. The IC50 values for peonidin against ABTS center dot+, DMPD center dot+ and DPPH center dot scavenging capabilities were determined to compare with standard antioxidants. ABTS center dot+ radical scavenging activity of peonidin had an IC50 value of 15.40 mu g/mL, while the IC50 values for BHA, BHT, Trolox, and alpha-Tocopherol were 12.82, 11.78, 12.67, and 10.83 mu g/mL, respectively. DPPH radical scavenging activity of peonidin had an IC50 value of 41.63 mu g/mL, while the IC50 values for BHA, BHT, Trolox, and alpha-Tocopherol were 8.45, 23.10, 6.30, and 18.73 mu g/mL, respectively. Enzyme inhibition was studied to investigate the effects of peonidin. The Ki values of peonidin were 114.33, 63.02, 2.99, 9.76, and 15.14 nM toward hCA I, hCA II, AChE, BChE, and alpha-glycosidase enzymes, respectively. Furthermore, peonidin's interactions with target enzymes BChE, hCA I, hCA II, AChE, and alpha-glycosidase were investigated by molecular docking. The results suggest that antioxidant-rich peonidin is a plant-based compound with potential use in the treatment of glaucoma, Alzheimer's disease, and diabetes.