A Novel Antioxidant Peptide from Black Soybean (Glycine max (L.) Merr.) with Verified MPO Interaction and Multi-Scale Antioxidant Activity

Dan Zhu¹Hai Zheng²Xie Xiaolin³Bingqi Zhang^2*

• ¹Gezhouba Central Hospital, Yichang, China
• ²Hubei University of Chinese Medicine, Wuhan, China
• ³Xiangyang Central Hospital, Xiangyang, China

Word count: 145 In this study, peptide components from aqueous extracts of black soybean were identified using LC-MS/MS. A novel antioxidant peptide, VPNHFNAP, was screened by targeting myeloperoxidase (MPO) protein through molecular docking combined with molecular dynamics simulations. Surface plasmon resonance (SPR) analysis confirmed the specific binding affinity of VPNHFNAP to MPO, validating the computational prediction results. In vitro chemical assays demonstrated that VPNHFNAP possesses significant DPPH and ABTS radical scavenging activity, and its underlying mechanism was further elucidated through molecular docking studies. In a HaCaT cell model of oxidative stress, VPNHFNAP showed potent cytoprotective effects, significantly improving cell viability and reducing intracellular ROS levels. This work provides a theoretical basis for the high-value utilization of black soybean by-products, expands the current database of plant-derived antioxidant peptides, and proposes a screening strategy for antioxidant peptides based on the integration of computational simulation, molecular interaction validation, and biological evaluation.