Aggoun_2026_Nat.Prod.Res__1

This study is the first to analyse the methanolic root extract of Athamanta sicula L., an endemic Mediterranean plant, leading to the isolation of two phenylpropanoids: apiol and myristicin. The extract and isolated compounds were evaluated for their inhibitory potential against alpha-amylase, alpha-glucosidase, acetylcholinesterase (AChE), and butyrylcholinesterase (BChE) using in vitro assays, molecular docking, and ADME predictions. The crude extract demonstrated superior inhibition of alpha-amylase and alpha-glucosidase compared to acarbose. Among the isolated compounds, apiol showed more activity than myristicin, particularly against alpha-glucosidase. Both compounds inhibited BChE, with apiol (IC(50) = 330.07 microM; MolDock score = -89.89) outperforming myristicin (IC(50) = 385.08 microM; MolDock score = -87.86). Favourable ADME properties, including high gastrointestinal absorption and blood-brain barrier penetration, were also predicted. These findings suggest that apiol and myristicin are key contributors to the plant's bioactivity, making them promising multi-target lead compounds for developing new treatments for diabetes and Alzheimer's disease.