Mechanism of Shubitong capsules in the treatment of prostatitis based on network pharmacology and molecular docking

CHEN Zhaoyang; WANG Fan; ZHANG Liping; ZHONG Xiaojian; LI Wen; HONG Xuwei; ZHANG Yonghai; ZHANG Yuanfeng

doi:10.3969/j.issn.1002-3429.2025.23.009

Abstract：Objective To study the mechanism of Shubitong capsules(SMT)in the treatment of prostatitis based on network pharmacology and molecular docking.Methods The active components and target proteins of SMT were screened out through the TCMSP and BATMAN TCM databases,and disease-related targets were identified by using the DisGeNET,Genecards and CTD databases.After obtaining the intersection targets,a protein-protein interaction(PPI)network was constructed.Network topology analysis and target screening were conducted on the PPI network to obtain the key target network for SMT treatment of prostatitis,and GO and KEGG enrichment analyses were performed on the key targets.The key components and key targets in the network were verified by molecular docking calculations.Results A total of 81 active ingredients and 883 action targets of SMT were obtained,including 922 prostatitis targets and 183 intersection targets.After analysis,30 core targets of SMT for the treatment of prostatitis were obtained,including CTNNB1,JUN,CASP3,and HIF1A.It mainly treats prostatitis through the Advanced Glycation End products-Receptor for AGE(AGE-RAGE)signaling pathway,interleukin-17(IL-17),tumor necrosis factor(TNF)and other signaling pathways.The results of molecular docking showed that the binding ability of most molecules to the target protein was good,and that the binding energies were all less than-7 kcal/mol.Conclusion The active ingredients in SMT,such as luteolin,quercetin,and chrysanthenone,act on the target network centered on CTNNB1,JUN,CASP3,and HIF1A,and intervene in the occurrence of prostatitis through IL-17 and TNF signaling pathways,providing a relevant theoretical basis for the mechanism research of SMT in the treatment of prostatitis.