Exploring the antibacterial mechanism and application of lavender essential oil based on network pharmacology and molecular docking

In this study, essential oil was extracted from lavender using steam distillation, and its chemical components were identified by gas chromatography-mass spectrometry (GC-MS). The active ingredients of lavender essential oil (LEO) and their corresponding targets were obtained from the STP, SEA, and TCMSP databases. The antibacterial activities of the active components in LEO were investigated against Escherichia coli, Staphylococcus aureus, Bacillus subtilis, and Candida albicans. The antibacterial efficacy was evaluated by measuring the diameter of the inhibition zone and the minimum inhibitory concentration (MIC). The results showed that 156 common targets were identified by intersecting the component targets of LEO and the host targets related to antibacterial activity. Topological analysis was performed using Cytoscape software, and 21 potential core targets were finally obtained through two rounds of screening based on topological indexes. Gene Ontology (GO) enrichment analysis revealed that these targets were mainly involved in biological processes such as transcriptional regulation, while Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis indicated their participation in 169 signaling pathways. Molecular docking results demonstrated that the core targets exhibited strong binding affinity with the four key components. In vitro antibacterial experiments verified that linalool, linalyl acetate, 1,8-cineole, and caryophyllene all showed favorable antibacterial activity. Combining network pharmacology, molecular docking, and in vitro antibacterial assays, this study clearly distinguished the direct antibacterial effect of lavender essential oil from its indirect anti-infectious role via host immune regulation. This work clarified the material basis for direct bacteriostasis and the auxiliary mechanism at the host level, providing an important reference for the potential application of lavender essential oil in the field of antibacterial treatment.