Phytochemical Profiling, Biological activities, and in Silico Molecular Docking of Mentha pulegium L. Essential Oil from Northwestern Algeria
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Abstract
Mentha pulegium L., an aromatic plant widely distributed in North Africa, was investigated for its essential oil composition, antioxidant and antimicrobial activities, and molecular interactions. The essential oil, extracted by hydrodistillation from aerial parts collected in Northwestern Algeria, yielded 0.72% (w/w) and was analyzed by GC-MS (Gas Chromatography-Mass Spectrometry). Pulegone (55.03%) and isomenthone (16.85%) were identified as the major constituents, along with limonene (3.13%) and menthol (2.11%). The oil exhibited potent antioxidant activity with an IC₅₀ of 22.17 µg/mL in the DPPH (2,2-diphenyl-1-picrylhydrazyl) radical scavenging assay, comparable to ascorbic acid. Antibacterial evaluation against six pathogenic strains showed the highest susceptibility for Bacillus subtilis (14.33 ± 0.58 mm), Bacillus cereus (13.67 ± 1.16 mm), Staphylococcus aureus (10.00 ± 0.00 mm) and Escherichia coli (10.33 ± 1.53 mm); while Pseudomonas aeruginosa and Salmonella typhi were resistant. MIC values ranged from 0.62 to 1.25 µL/mL, with bactericidal activity (MBC/MIC=1) observed against Staphylococcus aureus and Escherichia coli. Molecular docking against bacterial DNA gyrase revealed that cis- and trans-isopulegone exhibited the strongest binding affinity (ΔG = -6.2 kcal/mol), supporting the experimental antimicrobial data. These findings highlight M. pulegium essential oil from northwestern Algeria as a promising natural source of bioactive compounds for food preservation and pharmaceutical applications, with molecular docking providing mechanistic insights into its antibacterial potential.
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