# Discovery of Deer Antler-Derived Antioxidant Peptides Through Computational and Cell-Based Approaches

## TL;DR

Researchers discovered antioxidant peptides from deer antler proteins that protect cells and may be used in functional foods.

## Contribution

Novel antioxidant peptides from deer antler were identified and their mechanism of action was elucidated using computational and experimental methods.

## Key findings

- Peptides PHPAPTL and VPHGL showed strong antioxidant activity and protected HepG2 cells.
- Molecular dynamics simulations showed stable binding of the peptides to Keap1, enhancing system stability.
- Peptide binding induced conformational changes, increasing β-sheet formation near active sites.

## Abstract

Oxidative stress, caused by excessive free radicals, leads to cellular damage and various diseases. Antioxidant peptides from natural proteins offer potential in alleviating this stress. In this study, antioxidant peptides were identified from deer antler proteins using in silico enzymatic hydrolysis and machine learning. Peptides with high prediction scores and non-toxic profiles were selected for evaluation. The antioxidant activities of top candidates, PHPAPTL and VPHGL, were confirmed by radical scavenging assays and their protective effects in HepG2 cells. Molecular dynamics simulations revealed stable binding of these peptides to Keap1, enhancing system stability and reducing residue fluctuations at the ligand-binding interface. Key interactions involved Arg415, Arg483, Arg380, and Ser555. Secondary structure analysis showed peptide binding induced local conformational transitions, notably increasing parallel β-sheet formation near active sites. These findings provide mechanistic insight into their antioxidant effects and support their potential application in functional food development.