Exploring Eucalyptus globulus phytochemicals: Analytical, antibacterial, and molecular docking investigations

Abstract

This study presents a comprehensive investigation into chemical composition, antibacterial activity and molecular interactions of phytocompounds present in Eucalyptus globulus leaf extracts. Gas chromatography-mass spectroscopy analysis was employed to identify and quantify the bioactive compounds present in the extracts. The major phytocompounds are found to be 1,8- cineole, α-pinene and α-guaiene. The antibacterial potential of extracts was evaluated against gram-positive and negative strains using agar well-diffusion assay. The methanolic extract showed more antibacterial activity for Staphylococcus aureus and Escherichia coli strains having inhibition zone of 17.6 ± 0.94 and 21.3 ± 0.47 mm respectively when compared to petroleum ether extracts having zone of inhibition of 13 ± 0.81 and 17.3 ± 0.47 mm respectively for Staphylococcus aureus and Escherichia coli strains. Molecular docking studies provided insights into binding modes and interaction between phytocompounds and bacterial targets. The results shed light on the potential mechanisms of antibacterial action, enhancing our understanding of efficacy of phytocompounds. The ADMET and toxicity studies further validates the phytocompounds as promising candidates for further exploration and development of novel antibacterial agents.