Defatted Wheat Germ Protein-Derived Peptides Showed Multiple Biological Activities from the Stomach to Small Intestine: In Silico and In Vitro Approaches

• Published in: Journal of agricultural and food chemistry Vol. 72; no. 37; pp. 20527 - 20536
• Main Authors: Madhavi, Bolappa Gamage Kaushalya, Wijethunga, Anushi Madushani, Okagu, Ogadimma D., Sun, Xiaohong
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 18.09.2024
• Subjects: Angiotensin-Converting Enzyme Inhibitors - chemistry; Angiotensin-Converting Enzyme Inhibitors - metabolism; Angiotensin-Converting Enzyme Inhibitors - pharmacology; Bioactive Constituents, Metabolites, and Functions; Computer Simulation; Digestion; Dipeptidyl Peptidase 4 - chemistry; Dipeptidyl Peptidase 4 - metabolism; Dipeptidyl-Peptidase IV Inhibitors - chemistry; Dipeptidyl-Peptidase IV Inhibitors - pharmacology; Gastric Mucosa - metabolism; Humans; Intestine, Small - metabolism; Molecular Docking Simulation; Peptides - chemistry; Peptides - pharmacology; Peptidyl-Dipeptidase A - chemistry; Peptidyl-Dipeptidase A - metabolism; Plant Proteins - chemistry; Plant Proteins - metabolism; Plant Proteins - pharmacology; Seeds - chemistry; Stomach - chemistry; Triticum - chemistry; ACE; DPP-IV; molecular docking; antiadhesive activity; multifunctional peptides; in vitro digestion
• ISSN: 0021-8561; 1520-5118; 1520-5118
• DOI: 10.1021/acs.jafc.4c06539

This study aimed to test the hypothesis that bioactive peptides can exert multiple bioactivities at different sites in the gastrointestinal tract. Our previous research identified 33 gastric-resistant peptides derived from wheat germ with potential antiadhesive activity against Helicobacter pylori in the stomach. In this work, in silico digestion of these peptides with trypsin, thermolysin, and chymotrypsin produced 67 peptide fragments. Molecular docking was conducted to predict their ACE and DPP-IV inhibitory activities in the small intestine. Three peptides (VPIPNPSGDR, VPY, and AR) were selected and synthesized for in vitro validation. Their generation in the gastrointestinal tract was verified via in vitro digestion, followed by mass spectrometry analysis. The IC50 values for ACE inhibition were 199.5 μM (VPIPNPSGDR), 316.3 μM (VPY), and 446.7 μM (AR). For DPP-IV inhibition, their IC50 values were 0.5, 1.6, and 4.0 mM, respectively. This research pioneers new directions in the emerging field of multifunctional peptides, providing scientific evidence to support the utilization of wheat germ as value-added food ingredients.