Objective  To investigate the mechanism of Callicarpa Nudiflora Folium (CNF) in the treatment of acute gastritis through network pharmacology and molecular docking technology.

Methods  The chemical components of CNF were obtained from the SymMap database and literature, and component targets were obtained using the Swiss Target Prediction platform. Disease targets were screened through GeneCards and OMIM database. Utilizing the STRING database in conjunction with the Cytosccape 3.8.2 software platform, we constructed a protein-protein interaction (PPI) network to identify key functional targets. The Kyoto Encyclopedia of Genes and Genomes pathway and Gene Ontology function annotation analysis of the core targets were performed online through the DAVID analysis tool. The "active ingredient-key targetaction pathway" multi-dimensional network model was established by using Cytoscape 3.8.2 visualization software to systematically clarify the mechanism of action of the core active ingredients. Finally, molecular docking verification was performed on the core components and core targets.

Results  A total of 17 chemical components, 333 component targets and 1 239 disease targets were obtained. And 115 targets were obtained by intersection of component targets and disease targets. The PPI network was constructed using the String database and Cytoscape 3.8.2 software and the key targets were predicted, such as AKT1, TNF, IL6, etc. KEGG pathway enrichment analysis suggested that they might play a therapeutic role through the PI3K-Akt pathway, AGE-RAGE signaling pathway and so on. The key components were analyzed to be caffeic acid, sinapaldehyde, and pachypodol by “component-core target-pathway” map. Finally, the molecular docking results showed that there were strong intermolecular interactions such as hydrogen bonds and hydrophobic effects between key components and key targets, indicating high binding affinity.

Conclusion  Callicarpa Nudiflora Folium may treat acute gastritis through multi-components, multi-targets and multi-pathways, providing a scientific basis for the treatment of AG with Callicarpa Nudiflora Folium.

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