ANTIMICROBIAL ACTIVITY OF ATLAS CEDAR (CEDRUS ATLANTICA MANETTI) ESSENTIAL OIL: IN VITRO AND IN SILICO (ADME/T AND MOLECULAR DOCKING) STUDIES
This study investigates the antimicrobial potential of Atlas cedar (Cedrus atlantica) essential oil (EO). An extraction yield of 0.53% was obtained, and EO meets AFNOR standards. The EO's chemical composition reveals 15 volatile compounds, predominantly α-Pinene, β-Himachalene, α- Himachal...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Editura Universităţii din Oradea
2025-05-01
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| Series: | Natural Resources and Sustainable Development |
| Subjects: | |
| Online Access: | https://www.nrsdj.com/issues-year-2025-1/antimicrobial-activity-of-atlas-cedar-cedrus-atlantica-manetti-essential-oil-in-vitro-and-in-silico-adme-t-and-molecular-docking-studies.html |
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| Summary: | This study investigates the antimicrobial potential of Atlas cedar (Cedrus atlantica) essential
oil (EO). An extraction yield of 0.53% was obtained, and EO meets AFNOR standards. The EO's
chemical composition reveals 15 volatile compounds, predominantly α-Pinene, β-Himachalene, α-
Himachalene, Myrcene, and α-Terpineol. Antimicrobial investigations using disk diffusion and disc
volatilization methods reveal significant inhibitory effects on both Gram positive and Gram-negative
bacteria. In addition, selective activity against fungal strains is observed. On the other hand, the two
methods used allow considering the volatility of the EO’s components as denaturing agents of bacteria.
Besides, on Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADME/T) characteristics
of major compounds indicate drug-likeness, with some potential lipophilicity concerns. Despite this,
adherence to drug-likeness rules suggests promising characteristics for oral administration.
Bioavailability assessments indicate generally favorable characteristics. Furthermore, molecular
docking studies on five terpenes reveal their potential as inhibitors of Staphylococcus aureus DHFR
(PDB ID 3FRA). Trimethoprim serves as a reference with a binding energy of -7.6 kcal/mol. β-
Himachalene closely rivals Trimethoprim with a binding energy of -7.5 kcal/mol, while α-Himachalene
follows with a slightly lower binding energy of -6.8 kcal/mol. Therefore, Cedrus atlantica EO present
a promising natural source of bioactive compounds with antimicrobial and drug-like potentials for
sustainable solutions in medicine. |
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| ISSN: | 2066-6276 2601-5676 |