Academic Journal
Exploring the antibacterial effect and mechanism of Fructus mume based on network pharmacology and molecular docking.
| Τίτλος: | Exploring the antibacterial effect and mechanism of Fructus mume based on network pharmacology and molecular docking. |
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| Συγγραφείς: | WAREN, Lele, HUANG, Hao, DING, Yuexia |
| Πηγή: | Feed Research. 2026, Vol. 49 Issue 5, p101-107. 7p. |
| Θεματικοί όροι: | *Molecular docking, *Herbs, *Protein-protein interactions, *Antibacterial agents, *Chinese medicine, *Pharmacology, *Phytochemicals, *Cellular signal transduction |
| Περίληψη: | This study aimed to investigate the in vitro antibacterial effects of extracts from 15 traditional Chinese herbs against four pathogenic bacteria, and to preliminarily analyze the key antibacterial components, potential targets, and mechanisms of action. Extracts were prepared using water and ethanol extraction methods for antibacterial screening. The main active components and their targets of the target herb were obtained from the TCMSP database. The Venny platform was used to identify intersection targets between the herb's targets and antibacterial-related targets, and to generate a Venn diagram. The STRING database was employed for protein-protein interaction (PPI) network analysis of the intersection targets. Gene Ontology (GO) functional enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were performed using the DAVID database. Molecular docking technology was applied to verify the binding ability of core active components to key targets. The results showed that among the 15 herbs, the two extracts of Fructus mume exhibited better antibacterial effect against the four pathogenic bacteria, with the diameter of the inhibition zone of its ethanol extract against Salmonella reaching 34.08 mm. PPI analysis suggested that proteins such as serine/threonine-protein kinase 1 (AKT1), B-cell lymphoma/leukemia-2 (BCL2), epidermal growth factor receptor ( EGFR), estrogen receptor 1 ( ESR1), prostaglandin-endoperoxide synthase 2 (PTGS2), and proto-oncogene tyrosineprotein kinase (SRC) might be key targets for the antibacterial action of Fructus mume. GO and KEGG enrichment analyses indicated that the antibacterial effect of Fructus mume might be primarily associated with the regulation of signaling pathways including phosphatidylinositol 3-kinase-protein kinase B (PI3KAkt), RAS protein (Ras), and vascular endothelial growth factor (VEGF). Molecular docking results revealed that quercetin, kaempferol, and naringenin from Fructus mume had good binding affinity with the target proteins BCL2, EGFR, and PTGS2. The study shows that the experimental results provide a reference for elucidating the antibacterial mechanism of Fructus mume and identifying its key antibacterial components. [ABSTRACT FROM AUTHOR] |
| Βάση Δεδομένων: | Academic Search Index |
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