Antioxidant, hypotensive, and antidiabetic breakthroughs: Bromelain hydrolysis unlocks quinoa’s peptide potential - In silico and in vitro approach
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...
| Autores: | , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2025 |
| País: | España |
| Institución: | Consejo Superior de Investigaciones Científicas (CSIC) |
| Repositorio: | DIGITAL.CSIC. Repositorio Institucional del CSIC |
| OAI Identifier: | oai:digital.csic.es:10261/410095 |
| Acceso en línea: | http://hdl.handle.net/10261/410095 |
| Access Level: | acceso abierto |
| Palabra clave: | Quinoa Bromelain Bioinformatics 11S globulin Metabolic disorders Molecular dynamic |
| Sumario: | 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: 0.75 μM TE/μM peptide). Conversely, QDQHQKIR demonstrated the highest α-amylase inhibition (18.43%) and Cu2+ chelation (40.4%), supporting its role in carbohydrate metabolism and metal-ion homeostasis. Overall, NIYQIS emerged as the most promising peptide, highlighting the potential of quinoa-derived peptides as functional ingredients to mitigate oxidative stress and metabolic disorders. |
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