Combining GC-MS, network pharmacology, and molecular docking to explore the biofilm inhibition and antibacterial effects of <i>Hyssopus cuspidatus</i> Boriss essential oil on <i>Staphylococcus aureus</i> ATCC 6538

The essential oil of <i>Hyssopus cuspidatus</i> Boriss (HC B) exhibits diverse pharmacological properties, yet its antibacterial mechanisms remain underexplored. This study identified 59 compounds, predominantly ketones, <i>via</i> GC-MS analysis, and demonstrated potent anti-<i>Staphylococcus aureus</i> (<i>S. aureus</i>) activity with an MIC of 7.8125 mg/mL and an MBC of 62.5 mg/mL. The essential oil significantly suppressed acid production, lactate dehydrogenase (LDH) activity, and biofilm formation in <i>S. aureus</i>. Crystal violet staining confirmed the disruption of preformed biofilms at MIC concentrations. Through molecular docking and kinetic simulations, key bioactive components (e.g. α-gurjunene, cuminal, terpineol) were predicted to target inflammation and oxidative stress-related genes (PTGS2, MAOA/B, RELA, HSP90AA1), suggesting a multimodal antibacterial mechanism. These findings reveal the novel potential of HCB essential oil as a natural anti-biofilm and anti-virulence agent against <i>S. aureus</i>.