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

Hui Yu; Yang Dong; Gui-Cheng Zou; Yun-Jie Yang; Meng-Zhen Liu; Cong-Hui Han

doi:10.2478/abm-2025-0012

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

Asian Biomed (Res Rev News). 2025 Apr 30;19(2):94-105. doi: 10.2478/abm-2025-0012. eCollection 2025 Apr.

Authors

Hui Yu^{1

2}, Yang Dong³, Gui-Cheng Zou², Yun-Jie Yang⁴, Meng-Zhen Liu⁵, Cong-Hui Han³

Affiliations

¹ Integrated Traditional Chinese and Western Medicine Clinical Medicine School,Nanjing University of Chinese Medicine, No. 138 Xianlin Avenue, Qixia District, Nanjing, Jiangsu 210023, China.
² Department of Urology, Yantai Hospital of Traditional Chinese Medicine, Yantai, Shandong 264001, China.
³ Department of Urology, Xuzhou Central Hospital Affiliated to Nanjing University of Chinese Medicine, Xuzhou, Jiangsu 221006, China.
⁴ Department of Pelvic Floor Rehabilitation Center, The Huai'an Maternity and Child Clinical College of Xuzhou Medical University, Huai'an, Jiangsu 223002, China.
⁵ Department of Oncology, Zhumadian Central Hospital, Zhumadian, Henan 463000, China.

Abstract

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.

Keywords: Xiao Ji; bladder cancer; molecular docking; network pharmacology; target prediction.