In silico bioactivity analysis of peptide fractions derived from brewer's spent grain hydrolysates

Abstract

SummaryBrewer's spent grain is an agro‐industrial waste of barley malt from the manufacture of beer, which is rich in protein. Thus, this by‐product of the beer industry could be utilised to obtain bioactive peptides through enzymatic hydrolysis. The present study aimed to evaluate potential bioactivities (anti‐inflammatory, antidiabetic, antioxidant, antimicrobial) of peptide sequences identified in 5‐kDa peptide fractions derived from brewer's spent grain hydrolysates. Two experimental hydrolysates (run 5 and run 21) were selected based on their higher degree of hydrolysis (>55%), which were subjected to peptide sequence identification and used for in silico analysis. A total of fifty peptide sequences were identified between both runs. In silico analysis identified seventeen and thirteen multifunctional peptides in runs 5 and 21, respectively, which showed between two and four potential bioactivities. Interestingly, one peptide sequence (DLPPER) showed four potential bioactivities and, according to the Docking analysis, showed better Vina scores towards the protein's targets DPP‐IV (antidiabetic) and glucocorticoid receptor (anti‐inflammatory). These results demonstrate that peptides from brewer's spent grain hydrolysates may contribute to improving human health by offering potential protection against some chronic‐related diseases; however, further follow‐up in vitro and in vivo studies are needed to evaluate its actual capability.