Exploring the molecular mechanism of Xiao Ji () in treating bladder cancer using network pharmacology and molecular docking.

BACKGROUND

In China, Xiao Ji decoction has been used to treat hematuria. However, pharmacological studies on its effects against bladder cancer (BC) remain limited.

OBJECTIVE

This study aims to explore the potential mechanisms of Xiao Ji in treating BC using network pharmacology and molecular docking.

METHODS

The active constituents of Xiao Ji and their corresponding molecular targets were identified through the utilization of the Traditional Chinese Medicine Systems Pharmacology Database. Genes associated with BC were screened by employing resources including the Online Mendelian Inheritance in Man (OMIM) and GeneCards databases. Furthermore, protein-protein interaction (PPI) networks and networks illustrating the connections between ingredients and their ingredient-target (I-T) were established. The related genes underwent gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analyses. Ultimately, molecular docking experiments were conducted to substantiate and reinforce the proposed hypotheses.

RESULTS

Four compounds were identified, along with 82 target genes that exhibited associations with BC. In the I-T network, quercetin exhibited the highest degree of association with multiple targets. Within the PPI network, interleukin (IL)IL-6, hypoxia inducible factor 1 subunit alpha (HIF1A), epidermal growth factor receptor (EGFR), and myelocytomatosis oncogene (MYC) were discerned as pivotal genes. The enrichment analysis of the critical genes led to the identification of 92 GO terms and 105 pathways. Furthermore, the results of molecular docking analyses revealed that the active compounds, including acacetin, sitosterol, and stigmasterol, exhibited strong binding affinities with IL-6, EGFR, and MYC.

CONCLUSIONS

Xiao Ji acts on BC through multiple targets and pathways. This study elucidates the potential mechanisms of Xiao Ji in treating BC, providing new options for BC therapy.