article · South African Journal of Botany
This research evaluates the antibacterial properties of essential oils extracted from rosemary, lavender, and sage against clinical and reference strains of Klebsiella pneumoniae and Pseudomonas aeruginosa. Using hydrodistillation and chemical profiling, the study tested the oils alone and alongside conventional antibiotics. All three essential oils demonstrated antibacterial action against Klebsiella pneumoniae, although Pseudomonas aeruginosa showed resistance to lavender and sage oils. Notably, combining these oils with previously ineffective antibiotics such as aztreonam produced a significant synergistic effect against drug-resistant strains. In vitro cytotoxicity tests indicated varying levels of toxicity for the oils. Computational docking and drug-likeness analyses confirmed that five major volatile components, including 1,8-cineol and linalool, possess strong binding affinities to key bacterial proteins involved in resistance, while satisfying standard criteria for drug development.
Multidrug-resistant bacteria such as Klebsiella pneumoniae and Pseudomonas aeruginosa pose severe challenges to global healthcare by rendering standard antibiotics useless. Identifying natural plant oils that can restore the potency of failing antibiotics offers a potential avenue to combat difficult infections and repurpose existing therapeutic options against resistant clinical pathogens.
This research could inform the development of combination therapies or adjuvants designed to restore the efficacy of existing antibiotics against multidrug-resistant bacteria. Potential users include pharmaceutical developers and drug discovery programmes. Because the findings are based entirely on in vitro laboratory testing and in silico computational predictions, the work remains at an early discovery stage and requires extensive in vivo validation before real-world application.
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This study aimed to explore the phytochemical analyses and antibacterial potential of three essential oils (EOs) using both in-vitro and in-silico experiments for drug discovery. The Eos of Rosmarinus officinalis, Lavandula angustifolia, and Salvia officinalis were extracted by hydrodistillation, and GC–MS determined the chemical composition. The antibacterial activities of each EO were studied by the disc diffusion method. The minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) of these EOs were determined by micro-dilution. In addition, the EOs were combined with ineffective antibiotics (Aztreonam et al.) against clinical bacteria (P. aeruginosa and K. pneumoniae) to determine this association's effect. The in-vitro toxicological study was based on the MTT cytotoxicity assay. Finally, in-silico methods were employed to estimate their possible antibacterial mechanisms. Molecular docking was performed to calculate the predictive binding affinities of five major volatile components to three proteins key in the bacterial cycle using the AutoDock Vina program; prediction of drug-likeness properties and Toxicity prediction were carried out respectively by SwissADME and ProToxII online server. The results showed that the three EOs possessed antibacterial activity against ATCC and clinical K. pneumoniae. We note that P. aeruginosa was resistant to lavender and sage EOs. Surprisingly, adding EOs to antibiotics ineffective against resistant bacteria showed a significant synergistic antibacterial effect. Cytotoxicity assay of essential oils showed different values ranging from 0.22 to 0.43 µL/mL. Finally, the molecular docking study revealed that both compounds (1,8-Cineol, 1-Dodecene, Linalool, cis-Thujone, and Camphor) from the three EOs have a significant potential to inhibit the protein target involved in bacteria resistance. Furthermore, the SwissADME prediction results showed that all five components satisfy the rule of five and exhibit acceptable drug-like characteristics. findings suggest that the three EOs have interesting antibacterial activity. The in-vitro and in-silico studies gave a great potentiation and may constitute a promising option to control the emergence of MDR P. aeruginosa and K. pneumoniae.
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DOI: 10.1016/j.sajb.2024.03.015
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