Antioxidant, Hypotensive, and Antidiabetic Breakthroughs: Bromelain Hydrolysis Unlocks Quinoa's Peptide Potential - <i>In Silico</i> and <i>In Vitro</i> Approach.

ABSTRACT: This study integrates bioinformatics and experimental approaches to characterize bioactive peptides derived from quinoa 11S-globulin (Chenopodium quinoa Willd) hydrolyzedin silico by stem bromelain (EC3.4.22.32). A total of 109 peptides were generated, of which 14 sequences with more than five amino acids were selected based on molecular docking and dynamics simulations against key metabolic targets (ACE-I, DPP-IV, α-glucosidase, and lipoxygenase). NIYQIS and QDQHQKIR demonstrated the highest binding affinities and hydrogen-bonding interactions, with ADMET predictions confirming their non-toxic and bioavailable profiles. In vitro, NIYQIS showed the strongest inhibitory activity against ACE-I (53%), DPP-IV (16.36%) and exhibited the highest antioxidant capacity (ORAC: 0

SUBMITTER: Manzanilla-Valdez ML 

PROVIDER: S-EPMC12426930 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature