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Volume 18
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10.3390/pharmaceutics18030397
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Article

Chemical Characterization and Evaluation of Antimicrobial, Antioxidant, and Synergistic Activities of Teucrium polium L.: An Integrated Experimental and In Silico Approach

by
Khalid Zibouh
1,
Brahim Ed-Damsyry
1,
Aziz Drioiche
1,2,*,
Mohamed Ed-Dahmouny
1,
Noorah A. Alkubaisi
3,
Mourad A. M. Aboul-Soud
4,
Firdaous Remok
1,
Chaimae Ibbur
1,
Mohamed Radi
1,
Atika Ailli
1,
Sevser Sahpaz
5,6,7 and
Touriya Zair
1,*
1
Research Team of Chemistry of Bioactive Molecules and the Environment, Laboratory of Innovative Materials and Biotechnology of Natural Resources, Faculty of Sciences, Moulay Ismaïl University, B.P. 11201 Zitoune, Meknes 50070, Morocco
2
Higher Institute of Nursing Professions and Health Techniques of Fez, Regional Health Directorate Fez-Meknes, EL Ghassani Hospital, Fez 30000, Morocco
3
Department of Botany and Microbiology, College of Science, King Saud University, Riyadh 11451, Saudi Arabia
4
Center of Excellence in Biotechnology Research, College of Applied Medical Sciences, King Saud University, Riyadh 11433, Saudi Arabia
5
Specialized Metabolites of Plant Origin, UMRT 1158 BioEcoAgro, JUNIA, University of Lille, F-59000 Lille, France
6
University of Liège, 4000 Liège, Belgium
7
Université de Picardie Jules Verne, F-80025 Amiens, France
*
Authors to whom correspondence should be addressed.
Pharmaceutics 2026, 18(3), 397; https://doi.org/10.3390/pharmaceutics18030397
Submission received: 16 February 2026 / Revised: 8 March 2026 / Accepted: 18 March 2026 / Published: 23 March 2026
(This article belongs to the Special Issue Essential Oils: From Biological Activity to Pharmaceutical Applications)
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Abstract

Background/Objectives: Teucrium polium L. is widely used in traditional medicine and has been proposed as a source of antimicrobial adjuvants in the context of antimicrobial resistance. Here, we characterized the essential oil (EO) and polar extracts of T. polium and evaluated their antioxidant activity, antimicrobial potency against clinical multidrug-resistant (MDR) isolates, and the interaction of the EO with conventional antibiotics using a chequerboard assay (FICI); further, we investigated in silico molecular interactions with some targets related to resistance. Methods/Results: The EO, which was hydrodistilled and subsequently analyzed by GC–MS, is characterized by dominant limonene content (24.13%) and contents of oxygenated sesquiterpenes such as β-eudesmol (10.48%) and α-muurolol (8.10%). HPLC/UV–ESI–MS characterization of the extracts (decoction and Soxhlet) demonstrated that they were rich in polyphenolic compounds and flavonoids, which matched the standard phytochemical characteristics of this species. The extracts exhibited significant reducing capabilities, and the hydroethanolic extract exhibited the highest antioxidant activity (DPPH IC50 = 15.41 μg/mL; FRAP EC50 = 30.65 μg /mL), while the EO revealed at most moderate capacity in these tests. In antimicrobial assays, the EO inhibited fungi more effectively than the extracts (MIC of 1.17 mg/mL against Aspergillus niger; 4.69 mg/mL against Candida spp.), while antibacterial MICs for both the EO and extracts were generally high (up to 50 mg/mL). Combination testing nevertheless identified synergistic or additive effects of the EO with selected antibiotics, notably with ceftazidime against ESBL-producing Escherichia coli (FICI = 0.141) and Staphylococcus aureus (FICI = 0.039) and with amikacin against Klebsiella pneumoniae (FICI = 0.313); the EO–ceftriaxone pairing against ESBL E. coli was additive (FICI = 0.516). Docking simulations further supported these observations by showing the favorable predicted binding of oxygenated sesquiterpenes, most notably β-eudesmol and α-muurolol (up to −8.6 kcal/mol), to resistance-related targets such as RND efflux pumps, β-lactamases, and porins. Conclusions: Taken together, the in vitro and in silico data suggest that T. polium could be explored as a natural antimicrobial option and as an adjuvant to enhance antibiotic activity against multidrug-resistant pathogens.
Keywords: Teucrium polium L.; limonene; β-eudesmol; epicatechin; synergy; FICI; multidrug-resistant bacteria Teucrium polium L.; limonene; β-eudesmol; epicatechin; synergy; FICI; multidrug-resistant bacteria
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MDPI and ACS Style

Zibouh, K.; Ed-Damsyry, B.; Drioiche, A.; Ed-Dahmouny, M.; Alkubaisi, N.A.; Aboul-Soud, M.A.M.; Remok, F.; Ibbur, C.; Radi, M.; Ailli, A.; et al. Chemical Characterization and Evaluation of Antimicrobial, Antioxidant, and Synergistic Activities of Teucrium polium L.: An Integrated Experimental and In Silico Approach. Pharmaceutics 2026, 18, 397. https://doi.org/10.3390/pharmaceutics18030397

AMA Style

Zibouh K, Ed-Damsyry B, Drioiche A, Ed-Dahmouny M, Alkubaisi NA, Aboul-Soud MAM, Remok F, Ibbur C, Radi M, Ailli A, et al. Chemical Characterization and Evaluation of Antimicrobial, Antioxidant, and Synergistic Activities of Teucrium polium L.: An Integrated Experimental and In Silico Approach. Pharmaceutics. 2026; 18(3):397. https://doi.org/10.3390/pharmaceutics18030397

Chicago/Turabian Style

Zibouh, Khalid, Brahim Ed-Damsyry, Aziz Drioiche, Mohamed Ed-Dahmouny, Noorah A. Alkubaisi, Mourad A. M. Aboul-Soud, Firdaous Remok, Chaimae Ibbur, Mohamed Radi, Atika Ailli, and et al. 2026. "Chemical Characterization and Evaluation of Antimicrobial, Antioxidant, and Synergistic Activities of Teucrium polium L.: An Integrated Experimental and In Silico Approach" Pharmaceutics 18, no. 3: 397. https://doi.org/10.3390/pharmaceutics18030397

APA Style

Zibouh, K., Ed-Damsyry, B., Drioiche, A., Ed-Dahmouny, M., Alkubaisi, N. A., Aboul-Soud, M. A. M., Remok, F., Ibbur, C., Radi, M., Ailli, A., Sahpaz, S., & Zair, T. (2026). Chemical Characterization and Evaluation of Antimicrobial, Antioxidant, and Synergistic Activities of Teucrium polium L.: An Integrated Experimental and In Silico Approach. Pharmaceutics, 18(3), 397. https://doi.org/10.3390/pharmaceutics18030397

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