Discovery and molecular insights of a novel pea-derived antioxidant peptide: From quantum chemical insights to oxidative stability of walnut oil.

Jingna Peng, Tingmei Qi, Qi Lin, Xinyong Zhang, Yue Wang, Yuanyuan Bao

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Article in Food chemistry: X, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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1 · What the graph read from it

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5 · Who and what money

Authors and funding

6 authors.

Jingna PengCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, Yunnan, China.

Tingmei QiCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, Yunnan, China.

Qi LinCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, Yunnan, China.

Xinyong ZhangCollege of Agronomy and Biotechnology, Yunnan Agricultural University, Kunming 650201, Yunnan, China.

Yue WangCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, Yunnan, China.

Yuanyuan BaoCollege of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, Yunnan, China.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This study identified novel antioxidant peptides from defeasated pea protein and characterized their molecular properties and protective effects in a lipid system. Following ultrafiltration, Sephadex G-15 purification, Nano LC-MS/MS identification, and in silico screening, five unreported peptides (F1-F5) were selected for evaluation. Antioxidant activities varied across DPPH, ABTS, and hydroxyl radical assays, reflecting sequence- and assay-specific differences. Integrated experimental and computational analyses identified GIPYWTY (F1) as the lead peptide. Molecular docking revealed favorable F1-Keap1 interactions, while quantum-chemical analyses highlighted radical-reactive regions. A 100 ns molecular dynamics simulation confirmed complex stability, with an MM/PBSA binding free energy of -36.73 kJ/mol. In walnut oil, 0.075% (

Indexed as

Antioxidant peptidesDefatted pea proteinLipid oxidationMolecular dockingMolecular dynamics simulationQuantum chemical calculation

Identifiers

PMID42820248

DOI10.1016/j.fochx.2026.104474

PMCPMC13626792

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