Chemical composition, antibacterial activity and molecular docking study of Litsea lancifolia essential oil

For the first time, the essential oil from Litsea lancifolia leaves was obtained via hydrodistillation (yield: 0.218% v/w) and analyzed by gas chromatography- mass spectrometry (GC-MS). This analysis identified 63 components that accounted for 93.32% of the total oil, primarily monoterpene and sesquiterpene hydrocarbons, with α-phellandrene (14.85%), α-pinene (13.13%), and β-pinene (10.76%) as the major constituents. The essential oil exhibited concentration- and strain-dependent antibacterial activity. It inhibited both Gram-positive and Gram-negative bacteria, except Pseudomonas aeruginosa. The most significant inhibitory effect was observed against Staphylococcus aureus, which had an inhibition zone of up to 35.33±0.94 mm at a 60% concentration (while Escherichia coli and Salmonella typhi were less sensitive, with their inhibition zones being 5–10 mm smaller). Notably, at 40–60%, the essential oil showed stronger activity than gentamicin. Molecular docking studies further supported this bioactivity, revealing favorable interactions between the oil’s main components and key bacterial proteins (DNA gyrase (PDB ID: 6F86), penicillin-binding protein 3 (PDB ID: 3VSL), and outer membrane protein OmpF (PDB ID: 4KR4)). Among the compounds tested, α-copaene displayed the strongest binding affinities. These findings underscore the promising antibacterial potential of L. lancifolia leaf essential oil.