Phytochemical Profiling, Antioxidant and Antidiabetic Potential of the Ethyl Acetate Fraction of Pilea scripta (Buch.‐Ham. ex D.Don) Wedd.: Integrated In Vitro and In Silico Study

ABSTRACT Medicinal plants have served as a cornerstone of traditional healthcare systems worldwide. Pilea scripta (Buch.‐Ham. ex D.Don) Wedd. is a plant traditionally used by indigenous communities for diabetes management, although its phytochemical composition and pharmacological potential remain largely unexplored. This study characterised the phytoconstituents and evaluated the antioxidant and antidiabetic potential of P. scripta . Preliminary phytochemical screening was performed for the methanolic extract, while total phenolic and flavonoid contents were determined for the methanolic extract and its fractions. Antioxidant and antidiabetic activities were evaluated using DPPH, ABTS, phosphomolybdate, reducing power, DNA strand scission protection, α‐amylase and α‐glucosidase inhibition assays. Metabolite profiling by GC–MS and LC–QTOF‐MS was followed by molecular docking of all identified compounds and molecular dynamics simulations of the most potent compounds. Ethyl acetate fraction showed the highest total phenolic (353.61 μg GAE/mg extract) and flavonoid (372.53 μg RE/mg extract) contents, significant DPPH (IC 50 : 85.406 μg/mL) and ABTS (IC 50 : 116.25 μg/mL) activities, high phosphomolybdate activity, reducing power, DNA strand protection, and potent α‐amylase (IC 50 : 186.38 μg/mL) and α‐glucosidase (IC 50 : 150.84 μg/mL) inhibitory activities. Molecular dynamics simulations confirmed stable interactions of the most potent compounds with both enzymes. These findings support traditional use of P. scripta for diabetes management.