Exploring <i>Teucrium Aureo‐Candidum</i> Essential Oil as a Promising Alternative to Triclosan for Targeting Enoyl‐Acyl Carrier Protein Reductase: Chemical Composition, Antibacterial Activity, and Molecular Docking Study

The chemical composition of the essential oil isolated from the aerial parts of Teucrium aureo-candidum, an endemic aromatic shrub collected from Moghrar and Djeniene Bourezg in the Nâama region (Algeria), was determined for the first time using GC/FID and GC/MS. A total of 45 constituents were identified, representing 87.73 % of the oil. Characterized by unique chemical variability, it was primarily composed of sesquiterpene hydrocarbons (29.53 %) and oxygenated sesquiterpenes (30.06 %), with the major compounds being γ-cadinene (5.24 %), δ-cadinene (4.24 %), α-muurolene (4.04 %), τ-muurolol (11.35 %), and α-cadinol (3.30 %). However, monoterpene hydrocarbons and oxygenated monoterpenes accounted for 23.98 % and 1.64 %, respectively, contributing to a relatively low fraction. The essential oil demonstrated notable antibacterial activity, particularly against Gram-positive bacteria. Due to safety concerns associated with triclosan, a known inhibitor of the Enoyl-Acyl Carrier Protein Reductase (FabI) enzyme, the essential oil components from this plant were explored as alternatives through a combination of experimental approaches and in silico molecular docking studies. The results revealed that α-cadinol, spathulenol, caryophyllene, and α-muurolene exhibited strong FabI inhibition, with better bioavailability and lower toxicity than triclosan, highlighting their potential in combating antibiotic-resistant bacteria.

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Journal
Chemistry & Biodiversity
Published
2024-10-18
DOI
https://doi.org/10.1002/cbdv.202401945
Citations
1
Primary Topic
Computational Drug Discovery Methods
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article
Field-Weighted Citation Impact
0.36
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article

Exploring Teucrium Aureo‐Candidum Essential Oil as a Promising Alternative to Triclosan for Targeting Enoyl‐Acyl Carrier Protein Reductase: Chemical Composition, Antibacterial Activity, and Molecular Docking Study

Omar Messaoudi, Gherib Mohammed, Kamel Msaâda, Amrouche Abdel Ilah et al.
1 citations
Chemistry & Biodiversity
Computational Drug Discovery Methods
0.36
article

Exploring Teucrium Aureo‐Candidum Essential Oil as a Promising Alternative to Triclosan for Targeting Enoyl‐Acyl Carrier Protein Reductase: Chemical Composition, Antibacterial Activity, and Molecular Docking Study

Omar Messaoudi, Gherib Mohammed, Kamel Msaâda, Amrouche Abdel Ilah, Nadia Aissaoui, Yahla Sara, Gordo Belkacem
article en
1 citations

Abstract

The chemical composition of the essential oil isolated from the aerial parts of Teucrium aureo-candidum, an endemic aromatic shrub collected from Moghrar and Djeniene Bourezg in the Nâama region (Algeria), was determined for the first time using GC/FID and GC/MS. A total of 45 constituents were identified, representing 87.73 % of the oil. Characterized by unique chemical variability, it was primarily composed of sesquiterpene hydrocarbons (29.53 %) and oxygenated sesquiterpenes (30.06 %), with the major compounds being γ-cadinene (5.24 %), δ-cadinene (4.24 %), α-muurolene (4.04 %), τ-muurolol (11.35 %), and α-cadinol (3.30 %). However, monoterpene hydrocarbons and oxygenated monoterpenes accounted for 23.98 % and 1.64 %, respectively, contributing to a relatively low fraction. The essential oil demonstrated notable antibacterial activity, particularly against Gram-positive bacteria. Due to safety concerns associated with triclosan, a known inhibitor of the Enoyl-Acyl Carrier Protein Reductase (FabI) enzyme, the essential oil components from this plant were explored as alternatives through a combination of experimental approaches and in silico molecular docking studies. The results revealed that α-cadinol, spathulenol, caryophyllene, and α-muurolene exhibited strong FabI inhibition, with better bioavailability and lower toxicity than triclosan, highlighting their potential in combating antibiotic-resistant bacteria.

Chemistry & BiodiversityVol. 22(3)
University of Abou Bekr Belkaïd (DZ), Amar Telidji University of Laghouat (DZ)
Openalex Percentile: Top 35%
Computational Drug Discovery Methods
0.36
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