Phytochemistry and Antioxidant, Antimicrobial, and Antidiabetic Potentials of <i>Myrtus communis</i> L. Essential Oil Through In Vitro and In Silico Tests

Abstract

Aim Myrtus communis is a medicinal plant known for its pharmacological potential against cardiovascular, metabolic, and infectious disorders. This study aimed to analyze the phytochemical composition of Myrtus communis essential oil (MCEO) and to evaluate its antioxidant, antimicrobial, and antidiabetic activities through in vitro and in silico approaches. Methods The chemical profile of MCEO was determined by gas chromatography–mass spectrometry (GC–MS). Antioxidant activity was assessed using DPPH and FRAP assays. Antimicrobial activity was evaluated against Gram‐positive bacteria ( Bacillus subtilis and Staphylococcus aureus ), Gram‐negative bacteria ( Escherichia coli and Pseudomonas aeruginosa ), and yeasts ( Candida albicans and Candida krusei ) using the broth microdilution method. Antidiabetic activity was tested by measuring the inhibition of α‐amylase and α‐glucosidase. To complete the experimental results, ADMET and molecular docking analyses were performed. Results GC–MS analysis identified 1,8‐cineole (54.84%), p ‐cymene (19.42%), and β‐pinene (4.66%) as the major constituents of MCEO. The oil exhibited notable antioxidant activity, showing free radical scavenging in the DPPH assay and strong reducing capacity in the FRAP assay. Antimicrobial testing revealed significant effects against all strains, with minimum inhibitory concentrations (MICs) ranging from 0.019% to 0.312% (v/v) for bacteria and from 0.019% to 0.078% (v/v) for fungi, suggesting potential bactericidal and fungicidal properties. Furthermore, MCEO demonstrated moderate inhibitory activity on α‐amylase (IC 50 = 0.179 ± 0.091 mg/mL) and a statistically significant but lower inhibition of α‐glucosidase (IC 50 = 0.086 ± 0.017 mg/mL, p &lt; 0.001). Conclusion The results indicate that MCEO possesses promising antioxidant, antimicrobial, and moderate in vitro α‐amylase and α‐glucosidase inhibitory activity. These findings suggest its potential as a natural source for the development of new pharmacological agents.