Efficient production, computational screening, molecular docking, quantum chemical calculations, and application of novel antioxidant peptides from Tartary buckwheat in composite preservation films

Tartary buckwheat is a protein-rich pseudocereal. This research developed an efficient method for extracting antioxidant peptides from buckwheat. Alkaline hydrolysis of buckwheat albumin protein produced antioxidant peptides with higher extraction efficiency and antioxidant activity (p < 0.05). LC-MS/MS analysis identified 1284 novel antioxidant peptide sequences. Computational screening identified 16 peptides with high abundance and superior antioxidant capacity. Molecular docking and quantum chemical calculations determined WPWR, FLQL, and HGLFSPF as the peptides with the highest bioactivity. Among these, WPWR demonstrated excellent in vitro antioxidant activity and was successfully applied in peptide-polysaccharide composite preservation films, effectively extending the shelf life of strawberries, highlighting the potential of Tartary buckwheat-derived antioxidant peptides for advanced food preservation technology.