虎黄烧伤搽剂治疗烧伤作用机制的网络药理学和分子对接研究OA

Objective:To explore the mechanism of Huhuang Burn Liniment in the treatment of burns based on network pharmacology and molecular docking,so as to provide a theoretical basis for clinical application and exper-imental research.Methods:The active chemical components and corresponding target information of Huhuang Burn Liniment were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),and the gene names of the obtained targets were standardized using the UniProt database.Burn-related targets were collected from the Gene Expression Omnibus(GEO)database of the National Center for Biotechnology Information(NCBI).The overlapping targets between the drug and burns were acquired via the TC-MNP online platform.The STRING database and Cytoscape software were used to construct a multi-level molecu-lar network of"Huhuang Burn Liniment-targets-burns".Gene Ontology(GO)functional enrichment and Kyoto En-cyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses of the potential targets were performed us-ing the Database for Annotation,Visualization and Integrated Discovery(DAVID)database.Finally,molecular docking verification between key active components and core targets was conducted using the Autodock online plat-form CB-DOCK2.Results:A total of 170 main chemical components of Huhuang Burn Liniment for treating burns were screened,including quercetin,berberine,isoimperatorin,etc.The key therapeutic targets included inter-leukin-1β(IL-1β),interleukin-6(IL-6),prostaglandin-endoperoxide synthase 2(PTGS2),nuclear receptor coacti-vator 2(NCOA2),etc.The key signaling pathways involved neuroactive ligand-receptor interaction,lipid and ath-erosclerosis,cyclic adenosine monophosphate(cAMP),interleukin-17(IL-17),phosphatidylinositol 3-kinase/pro-tein kinase B(PI3K-Akt)signaling pathways,etc.The major potential active components(quercetin,alloisoimpera-torin,isoimperatorin,berberine,borneol lactone,baicalin)exhibited strong binding activity with target proteins such as IL-6,IL-1β,PTGS2,MMP9,CXCL8 and NCOA2.Conclusion:This study preliminarily reveals that the effective components of Huhuang Burn Liniment exert therapeutic effects on burns through multi-target and multi-pathway regulation,which provides a theoretical foundation for its clinical application and further pharmacological research.