Discovery and Validation of a Novel Antioxidant Peptide from Lotus Root Via in Silico, in Vitro, and in Vivo Approaches

Abstract

Lotus root (Nelumbo nucifera) is a nutrient-rich food source with antioxidant potential. In this study, LC-MS/MS and computational methods identified a novel antioxidant peptide, EWGHLGL, from lotus root juice. Molecular docking revealed its strong binding affinity to myeloperoxidase (MPO) (-9.345 kcal/mol), and molecular dynamics simulations showed stable RMSD values (<0.4 nm). EWGHLGL exhibited DPPH and ABTS radical scavenging activities ranging from 14.39±3.09% to 50.14±5.82% and 9.43±5.23% to 47.45±1.92%, respectively, at 0.1-10 mg/ml. In HaCaT cells, EWGHLGL enhanced viability and reduced ROS levels under H₂O₂-induced oxidative stress. In vivo assays in mouse liver tissues confirmed its antioxidant effects, increasing SOD and CAT activities while reducing MDA levels. This study highlights EWGHLGL as a potent antioxidant peptide and advances the high-value utilization of lotus root.

Keywords: Lotus root (Nelumbo nucifera), Antioxidant peptides, Molecular simulation, Oxidative stress