Abstract

Satureja nepeta essential oil (EO) is gaining prominence for its multifaceted pharmacological and biotechnological potential. This study aimed to characterize its volatile profile and evaluate its functional capacity as an antioxidant, antibacterial, and antiproliferative agent. Gas Chromatography Mass Spectrometry (GC–MS) profiling was conducted to identify the volatile constituents of the EO. Antioxidant activity was assessed using DPPH, ABTS, TAC, and FRAP assays. Antibacterial activity was evaluated against Gram-positive and Gram-negative pathogens using disk diffusion and MIC determination. In silico molecular docking against bacterial DNA gyrase B was performed to explore potential mechanisms of action. Antiproliferative activity was assessed on the P3X63Ag8.653 myeloma cell line. Chemical profiling identified nine major constituents, dominated by pulegone (68.63%), menthol (6.64%), and cis-pulegol (2.04%). The EO demonstrated significant free radical-scavenging activity, particularly in the TAC assay (EC50 = 3.747 ± 0.577 µg/mL). Antimicrobial evaluations revealed robust inhibitory effects, with Pseudomonas aeruginosa and Salmonella enterica exhibiting the highest susceptibility. In silico modeling corroborated these findings, identifying menthol as the lead ligand (ΔG = −6.09 kcal/mol), suggesting a synergistic mechanism of action. Notably, the EO displayed potent antiproliferative activity (LC50 = 14.060 ± 1.364 µg/mL), falling well within the high-cytotoxicity threshold. Collectively, these findings underscore the pharmacological significance of S. nepeta EO as a potent reservoir of bioactive monoterpenes with antioxidant, antimicrobial, and anticancer properties, meriting further in vivo validation and mechanistic exploration toward its development as a therapeutic or nutraceutical candidate.

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