Abstract
Background: Growing diabetes prevalence prompts investigation into plant-derived compounds’ potential to inhibit α-amylase, offering novel therapeutic avenues for treating diabetes mellitus (DM). Purpose: In the current study, ethanolic and methanolic extracts of Fagonia cretica and Berberis lycium were evaluated against α-amylase. Methods: The inhibitory activity of ethanolic and methanolic extracts was analyzed based on their IC50 values. An in vitro activity of α-amylase inhibition was performed, followed by molecular docking and molecular dynamics (MD) simulation of selected compounds. Results: Results indicated that F. cretica and B. lycium extracts have strong inhibitory effects against α α-amylase. In ethanolic and methanolic extracts, the methanolic B. lycium extract was the most potent with an IC50 value of 2.10 µg/mL; the ethanolic B. lycium, ethanolic, and methanolic F. cretica extracts also showed significant anti-α-amylase effects with IC50 values of 3.88, 4.09, and 7.26 µg/mL, respectively. Further, a total of 36 phytochemicals were docked against the α-amylase enzyme to explore the binding mode of these phytochemicals. Docking results confirmed that most of the phytochemicals accommodate well in the active site of α-amylase and made strong interactions compared to the standard drug acarbose. Also, the MD simulation results confirmed that both phytochemicals revealed greater stability than the standard acarbose. Conclusion: Based on these results, we concluded that the extract showed good effectiveness and further in vivo study is needed to manage DM.
Published Version
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