Throughout history, essential oils have been employed for their pleasing scents and poten-
tial therapeutic benefits. These oils have shown promise in various areas, including aromatherapy,
personal care products, natural remedies, and even as alternatives to traditional cleaning agents or
pest control solutions. The study aimed to explore the chemical makeup, antioxidant, and antibacte-
rial properties of Origanum compactum Benth., Salvia officinalis L., and Syzygium aromaticum (L.) Merr.
et Perry. Initially, the composition of the three essential oils, O. compactum (HO), S. officinalis (HS),
and S. aromaticum (HC) was analyzed using GC-MS technology, revealing significant differences in
the identified compounds. α-thujone emerged as the predominant volatile component in the oils,
making up 78.04% of the composition, followed by eugenol, which constituted 72.66% and 11.22% of
the HC and HO oils, respectively. To gauge antioxidant capabilities, tests involving DPPH scavenging
capacity and total antioxidant capacity were conducted. Antioxidant activity was determined through
the phosphomolybdate test and the DPPH• radical scavenging activity, with the HO essential oil
displaying significant scavenging capacity (IC50 of 0.12 ± 0.02 mg/mL), similar to ascorbic acid (IC50
of 0.26 ± 0.24 mg/mL). Similarly, the TAC assay for HO oil revealed an IC50 of 1086.81 ± 0.32 µM
AAE/mg. Additionally, the oils’ effectiveness against four bacterial strains, namely Escherichia coli,
Pseudomonas aeruginosa, Staphylococcus aureus, and Listeria monocytogenes, and five fungi, Geotrichum
candidum, Aspergillus niger, Saccharomyces cerevisiae, Candida glabrata, and Candida albicans, was tested
in vitro. The examined essential oils generally exhibited limited antimicrobial effects, with the excep-
tion of HC oil, which demonstrated an exceptionally impressive level of antifungal activity. In order
to clarify the antioxidant, antibacterial, and antifungal effects of the identified plant compounds,
we employed computational methods, specifically molecular docking. This technique involved
studying the interactions between these compounds and established protein targets associated with
antioxidant, antibacterial, and antifungal activities.