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- 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.