Composição Química, Atividade Antibacteriana e Análise in silico do Óleo Essencial de Alpinia zerumbet

Resumo

The growing problem of bacterial resistance has increased interest in essential oils as alternative antibacterial agents. Alpinia zerumbet, rich in bioactive compounds, shows promising activity against resistant strains. This study investigated its essential oil’s chemical composition, antibacterial activity, and potential mechanisms of action using in silico molecular docking. Leaves were collected and hydrodistilled to obtain the oil, analyzed by gas chromatography with mass spectrometry and gas chromatography with flame ionization detection. Antibacterial activity was evaluated against four bacterial strains, Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Salmonella spp. using a standardized inoculum and the disk diffusion method. Major constituents underwent molecular docking with filamentous temperature-sensitive protein Z (FtsZ) and yeast elongation factor-associated protein Z (YeaZ) proteins to explore antibacterial mechanisms. The oil contained 1,8-cineole (28%) and terpinen-4-ol (18.33%), both with recognized antimicrobial potential. Disk diffusion assays showed significant activity against Staphylococcus aureus (23.67 mm) and Escherichia coli (14.67 mm), but weak effects on Pseudomonas aeruginosa and Salmonella. Docking indicated γ-terpinene and p-cymene as key contributors through FtsZ interactions, highlighting cell division inhibition. Despite binding affinities above the optimal threshold, results confirm antibacterial potential, mainly via FtsZ interference. Alpinia zerumbet essential oil demonstrates strong antibacterial activity, especially against Staphylococcus aureus, with bioactive monoterpenes acting through multiple mechanisms.