Essential oil of Artemisia absinthium: Chemical composition, antibacterial activity and molecular docking study targeting CTX-M-15 extended-spectrum beta-lactamase

Authors

  • Turkiya Touhami Laboratory of Fundamental Sciences, Faculty of sciences, Amar Telidji University, Laghouat, PB37G, Algeria, Department of Biology, Faculty of sciences, Amar Telidji University, BP 37G, Laghouat, Algeria
  • Khadidja Houda Benabed Laboratory of Fundamental Sciences, Faculty of sciences, Amar Telidji University, Laghouat, PB37G, Algeria, Applied chemical and physical sciences laboratory, Higher Normal School, Laghouat, Algeria
  • Fatima Zohra Guellouma Laboratory of Fundamental Sciences, Faculty of sciences, Amar Telidji University, Laghouat, PB37G, Algeria
  • Hadjer Boussoussa Laboratory of Fundamental Sciences, Faculty of sciences, Amar Telidji University, Laghouat, PB37G, Algeria, Department of Biology, Faculty of sciences, Amar Telidji University, BP 37G, Laghouat, Algeria
  • Haritha Kalath Biomedical Research Centre, QU Health, Qatar University, Doha, Qatar
  • Ihcen Khacheba Laboratory of Fundamental Sciences, Faculty of sciences, Amar Telidji University, Laghouat, PB37G, Algeria
  • Mohamed Yousfi Laboratory of Fundamental Sciences, Faculty of sciences, Amar Telidji University, Laghouat, PB37G, Algeria
  • Muhammad Suleman Biomedical Research Centre, QU Health, Qatar University, Doha, Qatar
  • Abdullah A. Shaito Biomedical Research Centre, QU Health, Qatar University, Doha, Qatar

DOI:

https://doi.org/10.25081/jp.2026.v18.9910

Keywords:

ADMET, Antibacterial, Artemisia absinthium, Essential oil, Molecular docking, β-lactamase inhibition

Abstract

Artemisia absinthium essential oil (AabEO) exhibits a range of biological properties. This investigation involved the extraction of the AabEO through hydro-distillation, followed by the identification of its chemical constituents using gas chromatography-mass spectrometry, and then the dominant compounds were screened as potential β-lactamase inhibitors in silico. ADMET analysis was conducted via the SwissADME web service to assess the drug-likeness of the phytochemicals. Antibacterial activity of AabEO was further evaluated. GC-MS analysis revealed camphor as the principal constituent of AabEO. Among the tested bacteria, S. aureus and E. coli were the most susceptible bacteria, with clear zones of bacterial growth inhibition of 12 mm each. The inhibition zone obtained for K. pneumoniae was 8 mm, while P. aeruginosa was resistant. The ADMET values of all evaluated constituents revealed favourable findings, validating the plants as potential candidates for the discovery of safe therapeutic agents. From the docking analysis, geranyl-α-terpinene, camphor, and terpinen-4-ol showed high inhibitory potentials against β-lactamase, binding within the active site with lower binding affinity energy. Geranyl-α-terpinene had an energy of -6.95 kcal/mol, compared to avibactam at -5.8 kcal/mol. Consequently, AabEO may be regarded as a prospective agent that could enhance the therapeutic arsenal for treating infections caused by β-lactamase-resistant bacteria.

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References

Anand, U., Jacobo-Herrera, N., Altemimi, A., & Lakhssassi, N. (2019). A comprehensive review on medicinal plants as antimicrobial therapeutics: Potential avenues of biocompatible drug discovery. Metabolites, 9(11), 258. https://doi.org/10.3390/metabo9110258

Aouir, F., Chaibi, R., Merabti, B., Benhissen, S., Sifi, I., & Gouzi, H. (2025). Volatile oils of Thymus serpyllum and Artemisia absinthium: GS-MS analysis and insecticidal activity against Culiseta longiareolata. Biosystems Diversity, 33(1), e2513. https://doi.org/10.15421/012513

Batiha, G. E.-S., Olatunde, A., El-Mleeh, A., Hetta, H. F., Al-Rejaie, S., Alghamdi, S., Zahoor, M., Beshbishy, A. M., Murata, T., Zaragoza-Bastida, A., & Rivero-Perez, N. (2020) Bioactive compounds, pharmacological actions, and pharmacokinetics of wormwood (Artemisia absinthium). Antibiotics, 9(6), 353. https://doi.org/10.3390/antibiotics9060353

Benmimoune, S., Tigrine, C., Mouas, Y., & Kameli, A. (2023). Chemical profiling and assessment of biological activities of wild Artemisia absinthium L. essential oil from Algeria. Journal of Essential Oil Bearing Plants, 26(6), 1410-1423. https://doi.org/10.1080/0972060X.2023.2289617

Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig, H., Shindyalov, I. N., & Bourne, P. E. (2000). The protein data bank. Nucleic Acids Research, 28(1), 235-242. https://doi.org/10.1093/nar/28.1.235

Bezzezi, A., Boulares, M., Zarroug, Y., Boulares, A., & Hassouna, M. (2025). Chemical composition and biological activities of tunisian Artemisia absinthium L. essential oil. European Journal of Biotechnology and Bioscience, 10(2), 72-79.

Blair, J. M. A., Webber, M. A., Baylay, A. J., Ogbolu, D. O., & Piddock, L. J. V. (2015). Molecular mechanisms of antibiotic resistance. Nature Reviews Microbiology, 13, 42-51. https://doi.org/10.1038/nrmicro3380

Burt, S. (2004). Essential oils: their antibacterial properties and potential applications in foods--a review. International Journal of Food Microbiology, 94(3), 223-253. https://doi.org/10.1016/j.ijfoodmicro.2004.03.022

Daina, A., Michielin, O., & Zoete, V. (2017). SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules. Scientific Reports, 7, 42717. https://doi.org/10.1038/srep42717

Eberhardt, J., Santos-Martins, D., Tillack, A. F., & Forli, S. (2021). AutoDock Vina 1.2.0: New docking methods, expanded force field, and python bindings. Journal of Chemical Information and Modeling, 61(8), 3891-3898. https://doi.org/10.1021/acs.jcim.1c00203

Eloff, J. N. (1998). A sensitive and quick microplate method to determine the minimal inhibitory concentration of plant extracts for bacteria. Planta Medica, 64(8), 711-713. https://doi.org/10.1055/s-2006-957563

Faujdar, S. S., Bisht, D., & Sharma, A. (2020). Antibacterial activity of Syzygium aromaticum (clove) against uropathogens producing ESBL, MBL, and AmpC beta-lactamase: Are we close to getting a new antibacterial agent? Journal of Family Medicine and Primary Care, 9(1), 180-186. https://doi.org/10.4103/jfmpc.jfmpc_908_19

Guan, L., Yang, H., Cai, Y., Sun, L., Di, P., Li, W., Liu, G., & Tang, Y. (2019). ADMET-score - a comprehensive scoring function for evaluation of chemical drug-likeness. MedChemComm, 10(1) 148-157. https://doi.org/10.1039/c8md00472b

Haddou, M., Taibi, M., Elbouzidi, A., Loukili, E. H., Yahyaoui, M. I., Ou-Yahia, D., Mehane, L., Addi, M., Asehraou, A., Chaabane, K., Bellaouchi, R., & El Guerrouj, B. (2023). Investigating the impact of irrigation water quality on secondary metabolites and chemical profile of Mentha piperita essential oil: Analytical profiling, characterization, and potential pharmacological applications. International Journal of Plant Biology, 14(3), 638-657. https://doi.org/10.3390/ijpb14030049

Hayani, M., Bencheikh, N., Ailli, A., Bouhrim, M., Elbouzidi, A., Ouassou, H., Kharchoufa, L., Baraich, A., Atbir, A., Ayyad, F. Z., Drioiche, A., Addi, M., Hano, C., & Zair, T. (2022). Quality control, phytochemical profile, and antibacterial effect of Origanum compactum Benth. essential oil from Morocco. International Journal of Plant Biology, 13(4), 546-560. https://doi.org/10.3390/ijpb13040044

Huang, Y.-S., & Zhou, H. (2025). Breakthrough advances in beta-lactamase inhibitors: New synthesized compounds and mechanisms of action against drug-resistant bacteria. Pharmaceuticals, 18(2), 206. https://doi.org/10.3390/ph18020206

Jiang, C., Zhou, S., Liu, L., Toshmatov, Z., Huang, L., Shi, K., Zhang, C., & Shao, H. (2021). Evaluation of the phytotoxic effect of the essential oil from Artemisia absinthium. Ecotoxicology and Environmental Safety, 226, 112856. https://doi.org/10.1016/j.ecoenv.2021.112856

Joshi, R. K. (2013). Volatile composition and antimicrobial activity of the essential oil of Artemisia absinthium growing in Western Ghats region of North West Karnataka, India. Pharmaceutical Biology, 51(7), 888-892. https://doi.org/10.3109/13880209.2013.768676

Khan, F. A., Khan, N. M., Ahmad, S., Nasruddin, Aziz, R., Ullah, I., Almehmadi, M., Allahyani, M., Alsaiari, A. A., & Aljuaid, A. (2022). Phytochemical profiling, antioxidant, antimicrobial and cholinesterase inhibitory effects of essential oils isolated from the leaves of Artemisia scoparia and Artemisia absinthium. Pharmaceuticals, 15(10), 1221. https://doi.org/10.3390/ph15101221

Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., Zaslavsky, L., Zhang, J., & Bolton, E. E. (2025). PubChem 2025 update. Nucleic Acids Research, 53, D1516-D1525. https://doi.org/10.1093/nar/gkae1059

Lahiri, S. D., Mangani, S., Durand-Reville, T., Benvenuti, M., De Luca, F., Sanyal, G., & Docquier, J.-D. (2013). Structural insight into potent broad-spectrum inhibition with reversible recyclization mechanism: avibactam in complex with CTX-M-15 and Pseudomonas aeruginosa AmpC β-lactamases. Antimicrobial Agents and Chemotherapy, 57(6), 2496-2505. https://doi.org/10.1128/AAC.02247-12

Mathers, A. J., Lewis, J. S., Bryson, A. L., Alby, K., Bobenchik, A. M., Campeau, S., Dingle, T., Esparza, G., Fisher, M. A., Lutgring, J., Mitchell, S. L., Narayanan, N., Palavecino, E., Pierce, V. M., Schuetz, A. N., Simmer, P. J., & Tamma, P. D. (2025). CLSI M100: Performance Standards for Antimicrobial Susceptibility Testing. https://clsi.org/shop/standards/m100/

Munita, J. M., & Arias, C. A. (2016). Mechanisms of antibiotic resistance. Microbiology Spectrum, 4(2), vmbf-0016-2015. https://doi.org/10.1128/microbiolspec.vmbf-0016-2015

O’Boyle, N. M., Banck, M., James, C. A., Morley, C., Vandermeersch, T., & Hutchison, G. R. (2011). Open Babel: An open chemical toolbox. Journal of Cheminformatics, 3, 33. https://doi.org/10.1186/1758-2946-3-33

Pires, D. E. V., Blundell, T. L., & Ascher, D. B. (2015). PkCSM: Predicting small-molecule pharmacokinetic and toxicity properties using graph-based signatures. Journal of Medicinal Chemistry, 58(9), 4066-4072. https://doi.org/10.1021/acs.jmedchem.5b00104

Riahi, L., Ghazghazi, H., Ayari, B., Aouadhi, C., Klay, I., Chograni, H., Cherif, A., & Zoghlami, N. (2015). Effect of environmental conditions on chemical polymorphism and biological activities among Artemisia absinthium L. essential oil provenances grown in Tunisia. Industrial Crops and Products, 66, 96-102. https://doi.org/10.1016/j.indcrop.2014.12.036

Tooke, C. L., Hinchliffe, P., Bragginton, E. C., Colenso, C. K., Hirvonen, V. H. A., Takebayashi, Y., & Spencer, J. (2019). β-lactamases and β-lactamase inhibitors in the 21st century. Journal of Molecular Biology, 431(18), 3472-3500. https://doi.org/10.1016/j.jmb.2019.04.002

Trott, O., & Olson, A. J. (2010). AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading. Journal of Computational Chemistry, 31(2), 455-461. https://doi.org/10.1002/jcc.21334

Wan, Wilcock, & Coventry (1998). The effect of essential oils of basil on the growth of Aeromonas hydrophila and Pseudomonas fluorescens. Journal of Applied Microbiology, 84(2), 152-158. https://doi.org/10.1046/j.1365-2672.1998.00338.x

Yuan, H., Ma, Q., Ye, L., & Piao, G. (2016). The traditional medicine and modern medicine from natural products. Molecules, 21(5), 559. https://doi.org/10.3390/molecules21050559

Zanousi, M. B. P., Nekoei, M., & Mohammadhosseini, M. (2016). Composition of the essential oils and volatile fractions of Artemisia absinthium by three different extraction methods: Hydrodistillation, solvent-free microwave extraction and headspace solid-phase microextraction combined with a novel QSRR evaluation. Journal of Essential Oil Bearing Plants, 19(7), 1561-1581. https://doi.org/10.1080/0972060X.2014.1001139

Published

2026-03-21

How to Cite

Touhami, T., Benabed, K. H., Guellouma, F. Z., Boussoussa, H., Kalath, H., Khacheba, I., Yousfi, M., Suleman, M., & Shaito, A. A. (2026). Essential oil of Artemisia absinthium: Chemical composition, antibacterial activity and molecular docking study targeting CTX-M-15 extended-spectrum beta-lactamase. Journal of Phytology, 18, 25–33. https://doi.org/10.25081/jp.2026.v18.9910

Issue

Volume 18, 2026

Section

Articles

Copyright (c) 2026 Turkiya Touhami, Khadidja Houda Benabed, Fatima Zohra Guellouma, Hadjer Boussoussa, Haritha Kalath, Ihcen Khacheba, Mohamed Yousfi, Muhammad Suleman, Abdullah A. Shaito

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This work is licensed under a Creative Commons Attribution 4.0 International License.