Identification of Quercetin as a Potential Band 3 Protein Antioxidant Using Ektacytometry and in Silico Molecular Docking Technology

The purpose of this study was to analyze the protective action of natural flavonoid to the reactive oxygen stress on the Band 3 protein by ektacytometry and computational docking technology. For this, quercetin, a major active ingredient of the plum and onions were used as ligand for molecular interaction. The 3D crystallographic structure of molecular target Band 3 was obtained from PDB database (PDB ID: 4YZF). 4KU(2,2'-ethane-1,2-diylbis{5[(sulfanylmethyl)amino]benzenesulfonic acid}), a Band 3 protein ligand was taken as the standard for comparative docking analysis. Quercetin significantly blocked H2O2induced oxidative stress on the red blood cell membrane deformability. In addition, quercetin showed optimum binding affinity with a molecular target Band 3 with the binding energy of −7.46 kcal/mol as compared to the standard 4KU(−7.11 kcal/mol). These results strongly indicated that quercetin could be one of the potential ligand to protect reactive oxygen species mediated erythrocyte membrane damage and related blood circulation diseases.