Essential oil of Artemisia absinthium: Chemical composition, antibacterial activity and molecular docking study targeting CTX-M-15 extended-spectrum beta-lactamase

Artemisia absinthium essential oil (AabEO) exhibits a range of biological properties. This investigation involved the extraction of the AabEO through hydro-distillation, followed by the identification of its chemical constituents using gas chromatography-mass spectrometry, and then the dominant compounds were screened as potential β-lactamase inhibitors in silico. ADMET analysis was conducted via the SwissADME web service to assess the drug-likeness of the phytochemicals. Antibacterial activity of AabEO was further evaluated. GC-MS analysis revealed camphor as the principal constituent of AabEO. Among the tested bacteria, S. aureus and E. coli were the most susceptible bacteria, with clear zones of bacterial growth inhibition of 12 mm each. The inhibition zone obtained for K. pneumoniae was 8 mm, while P. aeruginosa was resistant. The ADMET values of all evaluated constituents revealed favourable findings, validating the plants as potential candidates for the discovery of safe therapeutic agents. From the docking analysis, geranyl-α-terpinene, camphor, and terpinen-4-ol showed high inhibitory potentials against β-lactamase, binding within the active site with lower binding affinity energy. Geranyl-α-terpinene had an energy of -6.95 kcal/mol, compared to avibactam at -5.8 kcal/mol. Consequently, AabEO may be regarded as a prospective agent that could enhance the therapeutic arsenal for treating infections caused by β-lactamase-resistant bacteria.