Therapeutic Potential of <i>Origanum majorana</i> L. Essential Oil in Diabetes Mellitus: Insights From GC–MS Characterization, In Vivo Hypoglycaemic Studies, and In Silico Analyses

values of 3.68 µg/mL for α-amylase and 4.71 µg/mL for α-glucosidase, which were lower than those of the reference drug acarbose (11.17 and 9.68 µg/mL, respectively). In vivo evaluation in alloxan-induced diabetic rats demonstrated a significant reduction in fasting blood glucose levels from 1.47 ± 0.04 g/L in the diabetic group to 0.94 ± 0.03 g/L after EO treatment, accompanied by improvements in biochemical and histopathological parameters. Molecular docking identified several major EO constituents with strong binding affinities toward α-amylase and α-glucosidase, particularly cis-verbenyl acetate (-6.64 and -7.27 kcal/mol) and β-pinene oxide (-5.40 and -6.46 kcal/mol), exceeding the affinity of acarbose. ADMET analysis predicted favorable pharmacokinetic profiles and low toxicity risks for these compounds. Molecular dynamics simulations confirmed stable protein-ligand interactions, while MM-PBSA calculations supported strong binding free energies. Density functional theory (DFT) analysis further revealed moderate reactivity and enhanced stability in aqueous environments. Overall, the combined experimental and computational findings suggest that O. majorana EO, particularly its constituents cis-verbenyl acetate and β-pinene oxide, represents a promising natural source of antidiabetic agents warranting further pharmacological investigation.