Identification and evaluation of antioxidant peptides from highland barley distiller's grains protein hydrolysate assisted by molecular docking

The aim of this study was to identify antioxidant peptides from highland barley distiller's grains and evaluate their antioxidant activity in vitro. The results showed that the enzymatic hydrolysate of highland barley distiller's grains prepared by ultrasonic assisted alkaline protease had antioxidant properties, aromatic amino acids accounted for 61.48% of the total free amino acids and acidic/basic amino acids accounted for 40.82% of the total hydrolyzed amino acids in enzymatic hydrolysate. Ultrafiltration component F1 (Mw < 1 kDa) had the highest DPPH, ABTS and hydroxyl radical scavenging activity and ferrous ion chelating activity, which were 93.92%, 69.59%, 50.27% and 0.71, respectively. Four peptides were identified and screened by LC-MS/MS and the P1 (SWDNFFR) and P4 (WDWVGGR) showed high scavenging ability of DPPH free radical (70.23%-62.84%) and ABTS free radical (30.87%-60.54%). Molecular docking showed that P1 and P4 formed multiple hydrogen bonds with central residues of MPO.