The Evolution of Gallic Acid in Aged White Tea and Its Potential Anti‐Aging Mechanisms: An Integrated Study Combining Network Pharmacology and Computer Simulation

Aging, characterized by a gradual decline in physiological function, is a major risk factor for chronic diseases. White tea, one of China's traditional tea types, exhibits various health benefits due to its unique chemical composition, with its anti-aging potential drawing increasing attention. Gallic acid (GA), one of the important bioactive components in white tea, possesses antioxidant and anti-inflammatory properties, but its anti-aging mechanisms remain unclear. In this study, high-performance liquid chromatography was used to analyze the evolution of GA content and to determine the antioxidant capacity of aged white tea. Results revealed that the GA content increased with storage time, accompanied by a corresponding enhancement in the antioxidant potency composite index (APC). Network pharmacology predicted 40 potential anti-aging targets of GA, and protein-protein interaction network analysis identified six key targets (MAOA, PTGS2, BCL2, APP, IGF1R, SERPINE1). Functional enrichment analysis indicated that the anti-aging effects of GA are mediated through multiple pathways, particularly those related to oxidative stress. Molecular docking results demonstrated that GA could bind effectively to the six key targets via hydrogen bonding and hydrophobic interactions. Furthermore, molecular dynamics simulations confirmed the binding stability of GA with MAOA, PTGS2, and BCL2. This study systematically elucidates the evolution of GA in aged white tea and its potential anti-aging mechanisms, providing a theoretical basis for the development of GA and aged white tea as functional anti-aging additives.