Comparative HPLC profiling, antioxidant, enzyme inhibitory activities, and in silico molecular analysis of the aerial parts of Epimedium pubigerum

Epimedium species are perennial herbaceous plants widely used in folk medicine. However, studies on extracts of their aerial parts are limited. In this study, comparative high-performance liquid chromatography (HPLC) profiling of the methanolic extract of the aerial parts of Epimedium pubigerum (DC.) C. Morren & Decne was performed, and its antioxidant and enzyme inhibitory effects were evaluated. To support the obtained results, in silico molecular analyses were applied to the main identified compounds. The aerial parts of E. pubigerum were extracted using methanol by the maceration method. As a result of high-performance liquid chromatography (HPLC) analysis, a total of 17 compounds were identified in E. pubigerum extracts. The total phenolic and flavonoid contents were found to be 83.76 mg GAE/g and 30.46 mg RE/g, respectively.The extract also exhibited antioxidant effects in different chemical assays (DPPH: 261.37 mg TE/g; ABTS: 423.44 mg TE/g; CUPRAC: 581.01 mg TE/g; FRAP: 313.99 mg TE/g; Metal Chelating: 11.88 mg EDTAE/g; Phosphomolybdenum: 2.21 mmol TE/g). The E. pubigerum extract exhibited enzyme inhibitory capacity (AChE: 9.69 mg GALAE/g; BChE: 2.65 mg GALAE/g; α-amylase: 0.82 mmol ACAE/g; α-glucosidase: 0.85 mmol ACAE/g; tyrosinase: 68.36 mg KAE/g). Molecular docking analyses revealed that the main compounds identified from E. pubigerum exerted inhibitory effects on the cholinergic system through acetylcholinesterase and butyrylcholinesterase targets and exhibited potential inhibitory activity against carbohydrate metabolism via α-amylase and α-glucosidase enzymes. These findings highlight the pharmacological potential of Epimedium species. E. pubigerum extracts showed antioxidant and enzyme inhibitory effects. These findings support the potential of this plant for further research as a therapeutic agent in drug development.