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Exploring the antibacterial mechanism of Perilla essential oil based on network pharmacology and molecular dynamics techniques
张
J
B
Y
T
Y
DOI:10.1016/j.jfca.2026.109321.png)
Abstract
En 中文
• A novel “membrane-metabolism-DNA” triple-action mechanism of Perilla essential oil (PEO) against Bacillus species is revealed for the first time. • Network pharmacology identifies 17 key components in PEO targeting 50 core proteins, including PTGS2, CYP3A4, and CYP2C19. • Integrated 100-ns molecular dynamics simulations confirm stable binding and reveal van der Waals forces as the dominant interaction.
Keywords:
Perilla essential oil
Bacillus subtilis
Bacillus cereus
Antibacterial mechanism
Membrane disruption
DNA damage
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