Objective  To elucidate the antibacterial active ingredients and mechanism of traditional Chinese preparation Xiaoyan Kangjun tablets based on network pharmacology.

Methods  The TCMSP database and SwissTargetPrediction database were used to collect and screen the active components of Xiaoyan Kangjun tablets and to mine the corresponding targets. GeneCards database and OMIM database were used to screen antibacterial targets, and the antibacterial targets of Xiaoyan Kangjun tablets were obtained by the intersection using Venny 2.1. Then, the “drug-active ingredient-antibacterial target” network diagram was constructed using Cytoscape 3.8.0 software. The antibacterial targets of Xiaoyan Kangjun tablets were imported into the STRING platform to construct the PPI network. The network topology analysis of Cytoscape software was used to calculate and screen the key antibacterial targets. GO functional enrichment analysis and KEGG pathway enrichment analysis were performed for antibacterial targets using Metascape database. GSE19315 chip was downloaded from GEO database for differential gene analysis. Finally, the active ingredients were verified by molecular docking with the core targets using AutoDock Tools.

Results  52 kinds of potential active ingredients of Xiaoyan Kangjun tablets and 485 corresponding potential gene targets were retrieved. Meanwhile, there were 2 296 potential antibacterial targets, and 138 antibacterial targets of Xiaoyan Kangjun tablets were obtained through the intersection by Venny  2.1. The key targets were AKT1, TP53, TNF, IL-6, GAPDH, VEGFA, IL-1β, MYC, SRC, MMP9, EGFR, PTGS2, ESR1, IL-10, HIF1A, CCL2, HSP90AA1, PPARG and CCND1. The potential gene targets of active ingredients were intersected with the differential genes obtained from GEO database, and the possible anti-inflammatory targets of Xiaoyan Kangjun tablets were obtained for the treatment of dysentery and hemorrhagic colitis. The results of molecular docking showed that the potential active ingredients had good binding potential with the core targets. Xiaoyan Kangjun tablets might participate in the regulation of pathways in cancer, lipid and atherosclerosis, chemical carcinogenesis-reactive oxygen species, endocrine resistance, NF-κB signaling pathway, platinum drug resistance, relaxin signaling pathway, inflammatory bowel disease, prolactin signaling pathway, viral carcinogenesis and other signaling pathways to play an antibacterial role.

Conclusion  This study elucidates the antibacterial action mechanism of Xiaoyan Kangjun tablets with multiple components, multiple targets and multiple pathways, and provides the theoretical reference for further exploration of the antibacterial mechanism of the traditional Chinese preparation Xiaoyan Kangjun tablets, and shows new ideas and clues for the development of its efficacy.

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