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Exploring the antibacterial mechanism of Perilla essential oil based on network pharmacology and molecular dynamics techniques

delete2026-06-17
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张进华 (Jinhua Zhang)
J
Jichen Su
B
Baoqing Bai
Y
Ying Zhang
T
Tao Bo *
Y
Yukun Yang *
DOI:10.1016/j.jfca.2026.109321delete
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Abstract

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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Journal

Journal of Food Composition and Analysis cover
Journal of Food Composition and Analysis
IF:
4.6
Papers:
7.5K
Citations:
1.9W

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S
Shanxi University
Scholars:
1.2W
Papers: 8.2K
Citations: 1.2W
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