Protective Effect of the Leaves of Bergenia scopulosa on Oxidative Damage by UHPLC-Q Exactive Focus MS, Network Pharmacology and Molecular Docking

Abstract

The rhizomes of Bergenia scopulosa, known as dapanlongqi, have been widely used as an Taibai Seven Medicine in the folk medicine of China. However, its leaves, considered a non-medicinal part, have not been extensively studied. This research aims to explore the chemical composition and pharmacological activities of B. scopulosa leaves, providing new insights for the comprehensive utilization of the plant. In this study, a total of 59 compounds, including 13 flavonoids, 7 isocoumarins, 35 phenolic acids and 4 others were tentatively characterized in the leaves of B. scopulosa by ultra-high performance liquid chromatography coupled with Q exactive focus mass spectrometry (UHPLC-Q Exactive Focus MS). All the known compounds were reported from the leaves of B. scopulosa for the first time. The B. scopulosa leaves contained abundant and structurally diverse phenolics, and exhibited similar DPPH• and ABTS•+ scavenging abilities with trolox. Network pharmacology and molecular docking analyses identified astragalin, reynoutrin, rutin, luteolin, ellagic acid, kaempferol, and catechin as the primary antioxidants in the leaves. This study is the first to comprehensively characterize the chemical composition and antioxidant properties of B. scopulosa leaves and reveals their potential in treating atherosclerosis, neurodegeneration, infections, inflammation, and diabetic complications. The research emphasizes the importance of utilizing non-medicinal plant parts while promoting sustainable resource use. The identified antioxidants also hold promise for the development of new drugs and health products, addressing oxidative stress-related diseases.