Chemical profiling, antioxidant, and antimicrobial potential of Algerian thyme, garlic, and lemon essential oils: In vitro and in silico evaluations Chemical profiling, antioxidant, and antimicrobial potential of Algerian…
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Abstract
This study evaluated the potential of essential oils (EOs) from Citrus limon L., Allium sativum L., and Thymus vulgaris L. as natural food preservatives by investigating their chemical composition, antioxidant and antimicrobial activities, and molecular interactions with microbial targets. Gas chromatography–mass spectrometry revealed distinct chemical profiles, with thyme and lemon oils dominated by monoterpenes (95.55% and 98.25%), particularly thymol (42.63%) and D-limonene (74.40%), respectively, whereas garlic oil was characterized by organosulfur compounds (83.16%), mainly diallyl trisulfide (35.94%) and diallyl disulfide (21.59%). In the DPPH assay, thyme oil exhibited the highest radical-scavenging activity (91%), followed by garlic (88%) and lemon (75%) oils, although all showed lower activity than vitamin C and BHT (p < 0.05). Thyme oil demonstrated the strongest antibacterial activity against the tested bacterial strains, particularly Escherichia coli and Staphylococcus aureus, with inhibition zones comparable to gentamicin. Garlic oil showed notable antifungal activity against Candida albicans and Saccharomyces cerevisiae, whereas lemon oil exhibited moderate antimicrobial effects. Molecular docking further indicated favorable interactions of thymol and diallyl trisulfide with S. aureus ParE and C. albicans CYP51, respectively. Overall, the findings highlight the complementary antimicrobial and antioxidant properties of these EOs and support their potential as natural preservatives for food applications.
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References
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Ganjitabar H., Hadidi R., Garcia G.A., Nahon L., Powis I. Analysis of the volatile monoterpene composition of citrus essential oils by photoelectron spectroscopy employing continuously monitored dynamic headspace sampling. Analyst, 2023, 148(24): 6228-6240. https://doi.org/10.1039/D3AN01448G
Guedes I.A., da Silva M.M.P., Galheigo M., Krempser E., de Magalhães C.S., Barbosa H.J.C., Dardenne L.E. DockThor-VS: A free platform for receptor–ligand virtual screening. Journal of Molecular Biology, 2024, 436(17): 168548. https://doi.org/10.1016/j.jmb.2024.168548
Güven L., Behbudbayli U., Ertürk A., Hancı H., Yılmaz B., Kaya Y., Gülçin İ. Determination of antioxidant, antimicrobial, anticholinesterase, antityrosinase, antidiabetic and antiglaucoma activities of essential oils from three different Thymus species and their chemical characterization by GC-MS analysis. Journal of Essential Oil-Bearing Plants, 2023, 26(6): 1424-1446. https://doi.org/10.1080/0972060X.2023.2288276
Haindongo N.K.N., Anyogu A., Ekwebelem O.C., Anumudu C., Onyeaka H. Antibacterial and antibiofilm effects of garlic (Allium sativum), ginger (Zingiber officinale) and mint (Mentha piperita) on Escherichia coli biofilms. Food Science and Applied Biotechnology, 2021, 4(2): 166-176. https://doi.org/10.30721/fsab2021.v4.i2.146
Han Y., Chen W., Sun Z. Antimicrobial activity and mechanism of limonene against Staphylococcus aureus. Journal of Food Safety, 2021, 41(5): e12918. https://doi.org/10.1111/jfs.12918
Haokip S.W., Sheikh K.A., Das S., Devi O.B., Singh Y.D., Wangchu L., Heisnam P. Unraveling physicochemical profiles and bioactivities of citrus peel essential oils: A comprehensive review. European Food Research and Technology, 2023, 249(11): 2821-2834. https://doi.org/10.1007/s00217-023-04353-0
Hargrove T.Y., Friggeri L., Wawrzak Z., Qi A., Hoekstra W.J., Schotzinger R.J., Lepesheva G.I. Structural analyses of Candida albicans sterol 14α-demethylase complexed with azole drugs address the molecular basis of azole-mediated inhibition of fungal sterol biosynthesis. Journal of Biological Chemistry, 2017, 292(16): 6728-6743. https://doi.org/10.1074/jbc.M117.778308
Herrera-Calderon O., Chacaltana-Ramos L.J., Huayanca-Gutiérrez I.C., Algarni M.A., Alqarni M., Batiha G.E.S. Chemical constituents, in vitro antioxidant activity and in silico study on NADPH oxidase of Allium sativum L. (garlic) essential oil. Antioxidants, 2021, 10(11): 1844. https://doi.org/10.3390/antiox10111844
Hooper D.C., Jacoby G.A. Topoisomerase inhibitors: Fluoroquinolone mechanisms of action and resistance. Cold Spring Harbor Perspectives in Medicine, 2016, 6(9): a025320. https://doi.org/10.1101/cshperspect.a025320
Huang L., Liu Z., Wang J., Fu J., Jia Y., Ji L., Wang T. Bioactivity and health effects of garlic essential oil: A review. Food Science & Nutrition, 2023, 11(6): 2450–2470. https://doi.org/10.1002/fsn3.3253
Hudaib M., Speroni E., Di Pietra A.M., Cavrini V. GC-MS evaluation of thyme (Thymus vulgaris L.) oil composition and variations during the vegetative cycle. Journal of Pharmaceutical and Biomedical Analysis, 2002, 29(4): 691-700. https://doi.org/10.1016/S0731-7085(02)00119-X
Karagecili H., Yılmaz M.A., Ertürk A., Kiziltas H., Güven L., Alwasel S.H., Gülçin İ. Comprehensive metabolite profiling of Berdav propolis using LC-MS/MS: Determination of antioxidant, anticholinergic, antiglaucoma, and antidiabetic effects. Molecules, 2023, 28(4): 1739. https://doi.org/10.3390/molecules28041739
Kačániová M., Čmiková N., Vukovic N.L., Verešová A., Bianchi A., Garzoli S., Ben Saad R., Ben Hsouna A., Ban Z., Vukic M.D. Citrus limon essential oil: Chemical composition and selected biological properties focusing on the antimicrobial (in vitro, in situ), antibiofilm, insecticidal activity and preservative effect against Salmonella enterica inoculated in carrot. Plants, 2024, 13(4): 524. https://doi.org/10.3390/plants13040524
Kauser S., Raj N., Ahmedi S., Manzoor N. Mechanistic insight into the membrane-disrupting properties of thymol in Candida species. Microbe, 2024, 2(3): 100045. https://doi.org/10.1016/j.microb.2024.100045
Lanciu Dorofte A., Dima C., Ceoromila A., Botezatu A., Dinica R., Bleoanca I., Borda D. Controlled release of β-CD-encapsulated thyme essential oil from whey protein edible packaging. Coatings, 2023, 13(3): 508. https://doi.org/10.3390/coatings13030508
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How to Cite
ALILECHE, Khoukha et al.
Chemical profiling, antioxidant, and antimicrobial potential of Algerian thyme, garlic, and lemon essential oils: In vitro and in silico evaluations.
Food Science and Applied Biotechnology, [S.l.], v. 9, n. 2, p. 490-509, oct. 2026.
ISSN 2603-3380.
Available at: <https://www.ijfsab.com/index.php/fsab/article/view/697>. Date accessed: 13 oct. 2026.
doi: https://doi.org/10.30721/fsab2026.v9.i2.697.