Exploring the Antibacterial Potential of Cinnamomum Zeylanicum Essential Oil: a Multifaceted Approach Through in Vitro Assays, Molecular Docking and ADME Analysis
摘要
Essential oils (EOs) derived from medicinal plants have attracted increasing interest as potential alternatives to conventional antibiotics. In the present study, the chemical composition and antibacterial activity of the essential oil obtained from the bark of Cinnamomum zeylanicum were investigated. Gas chromatography coupled with flame ionization detection (GC–FID) and mass spectrometry (GC–MS) allowed the identification of 25 constituents, accounting for 95.82% of the total oil composition. The EO was largely dominated by (E)-cinnamaldehyde (84.52%), followed by the sesquiterpenes α-copaene (2.71%) and α-muurolene (1.35%). Antibacterial assays revealed pronounced activity against both Gram-positive and Gram-negative bacteria. Staphylococcus aureus and Bacillus cereus were the most susceptible strains, exhibiting inhibition zones ranging from 30.0 ± 0.02 to 38.0 ± 0.01 mm, whereas Pseudomonas aeruginosa showed comparatively lower sensitivity. The essential oil displayed very low minimum inhibitory and bactericidal concentrations (MIC/MBC = 0.03% v/v). Molecular docking analyses revealed high binding affinities of the major constituents toward key bacterial targets, including DNA gyrase subunit B (GyrB, PDB: 3u2d) of S. aureus, the LasA virulence factor of P. aeruginosa (PDB: 3it7), and the 24-kDa outer membrane protein of Escherichia coli (PDB: 1kzn). In silico ADME profiling further suggested favorable pharmacokinetic properties. Overall, these results support the potential of C. zeylanicum essential oil as a promising natural antibacterial agent for the development of alternative strategies against multidrug-resistant pathogens.