In silico prediction and structural characterization of multifunctional bioactive peptides released from olive...

Area of Science:

• Food Science and Technology
• Biotechnology
• Nutraceuticals

Background:

• Olive (Olea europaea L.) byproducts are rich, underutilized protein sources.
• The bioactive peptides released from olive proteins during digestion are not well understood.
• This research explores the potential of olive byproducts for novel bioactive peptide discovery.

Purpose of the Study:

• To conduct an in silico screening of olive proteins to identify and characterize multifunctional bioactive peptides.
• To predict the properties and potential bioactivities of peptides derived from olive proteins.
• To establish a framework for identifying and prioritizing olive-derived peptide candidates.

Main Methods:

• Selected five UniProt-reviewed Olea europaea L. proteins for simulated gastrointestinal digestion.
• Utilized in silico tools to predict peptide physicochemical properties, bioactivity, and bioavailability.
• Performed molecular docking to analyze peptide-target interactions.

Main Results:

• Generated a diverse peptide pool from simulated olive protein digestion.
• Prioritized high-ranking peptide candidates based on predicted bioactivity and structural features.
• Identified specific peptide interactions with targets in cardiometabolic and inflammatory pathways, including ACE and TLR4/MD2.

Conclusions:

• Developed an integrated in silico framework for identifying multifunctional bioactive peptides from olive byproducts.
• Findings provide a basis for experimental validation of olive-derived peptides.
• Supports the valorization of olive byproducts as sources of functional food ingredients.