Mechanistic Insights into the Antioxidant Potential of Sugarcane Vinegar Polyphenols: A Combined Approach of DPPH-UPLC-MS, Network Pharmacology and Molecular Docking

Abstract

This study investigated the antioxidant potential of sugarcane vinegar, an emerging functional food, by analyzing its polyphenols and underlying molecular mechanisms that intervene in oxidative stress. Using a 1,1-diphenyl-2-trinitrophenylhydrazine (DPPH) assay combined with UPLC-MS analysis, six key polyphenols were identified: chlorogenic acid, caffeic acid, ferulic acid, luteolin, protocatechuic acid, and syringic acid. These compounds showed a positive correlation with antioxidant capacity. In a simulated sugarcane vinegar environment, these polyphenols exhibited synergistic antioxidant effects, while in methanol, antagonistic interactions were predominant. Network pharmacology revealed five key polyphenols targeting 10 critical proteins involved in oxidative stress, including the PI3K-Akt and IL-17 signaling pathways. Molecular docking confirmed strong binding affinities between these polyphenols and core targets like PTGS2, STAT3, and GSK3B. This study establishes a reference for the antioxidant mechanisms of sugarcane vinegar and highlights its potential for developing functional products.

Keywords

• sugarcane vinegar polyphenols
• antioxidants
• oxidative stress
• DPPH-UPLC-MS
• network pharmacology
• molecular docking