基于网络药理学和分子对接探讨金银花-鱼腥草药对防治牛乳房炎的作用机制OA

This study aimed to analyze the potential mechanism of the Flos lonicerae and Cordate houttuynia herba pair in preventing and treating bovine mastitis using network pharmacology and molecular docking technology,thereby providing a theoretical basis for research on its mechanism of action and clinical application.The active ingredients and corresponding targets of the Flos lonicerae and Cordate houttuynia herba pair were retrieved from the traditional Chinese medicine systems pharmacology database and analysis platform.Targets related to bovine mastitis were ob-tained from databases such as GeneCards,NCBI and GEO.Cytoscape 3.9.1 software and the STRING database were used to construct"drug-target-disease"and protein-protein interaction(PPI)networks,and to screen the core com-ponents and key targets of the herb pair in preventing and treating mastitis.The DAVID database was employed for Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis of potential tar-gets.Molecular docking was performed using AutoDock vina software.The results showed that 28 active ingredients and 192 corresponding targets were identified from the herb pair,along with 616 targets associated with bovine mas-titis.A total of 143 potential targets of the herb pair for preventing and treating bovine mastitis were obtained.Among them,6 core components were screened,including quercetin,luteolin,kaempferol,β-sitosterol,stigmasterol and corymbosin;8 key targets for mastitis prevention and treatment were identified,such as tumor necrosis factor(TNF),matrix metalloproteinase 9(MMP-9),interleukin-1β(IL1B),prostaglandin-endoperoxide synthase 2(PTGS2),interferon-gamma(IFNG),C-C motif chemokine ligand 2(CCL2),intercellular adhesion molecule 1(ICAM1)and CXC motif chemokine ligand 8(CXCL8).Enrichment analysis revealed signaling pathways including TNF,nuclear factor-κB(NF-κB),interleukin-17(IL-17),nucleotide-binding oligomerization domain(NOD)-like receptors and toll-like receptor.Molecular docking results demonstrated that the binding energies between core com-ponents and key targets were all<-5 kcal/mol,indicating stable interactions between them.In conclusion,the active ingredients in the Flos lonicerae and Cordate houttuynia herba pair may exert effects on preventing and treating mas-titis through multiple targets.