Based on Network Pharmacology and Molecular Docking to Explore the Mechanism of Cheng Bixie Fenqing Decoction in the Treatment of Chronic Prostatitis
ZHANG Chen,LUO Rui-xiang,ZHAO Tong
Abstract:
Objective To explore the potential mechanism of Bixie fenqing decoction in the treatment of chronic prostatitis (CP) by means of network pharmacology and molecular docking technology. Methods With the help of TCMSP database, we screened the active ingredients and protein targets of Bixie Fenqing decoction. Uniprot database was used to identify gene targets. A network of “Chinese Herbal Medicine - Effective Components - Targets” was constructed with Cytoscape 3.7.2 software. With the help of GeneCards and OMIM database, we screened the disease targets of CP, obtained the common targets of Beixie Fenqing decoction and CP and constructed a protein interaction (PPI) network with STRING database for the treatment of chronic prostatitis. Metascape database was used for GO functional enrichment analysis and KEGG pathway enrichment analysis, and finally molecular docking verification was carried out. Results Selected Bixie distinguish drink 150 effective ingredients, and the corresponding target 122, CP disease targets for 1 067, 117 common target gene, PPI network analysis showed that Bixie distinguish drink key targets for the treatment of CP gene AKT1, TP53, IL6, MAPK8, MAPK1, VEGFA, TNF, JUN etc. GO analysis and KEGG analysis showed that core targets are involved in various biological processes such as cell metabolism, apoptosis and pain relief and act on multiple signaling pathways, such as cancer, TNF, PI3K-Akt, HIF-1 and cell cycle metabolism. Molecular docking shows that the core compound has good docking activity with the target. Conclusion This study preliminarily revealed the multi-target and multi-pathway mechanisms of Beixie Fenqing decoction in the treatment of chronic prostatitis from the perspective of online pharmacology and molecular docking, thus predicting the potential mechanisms of Beixie Fenqing decoction in the treatment of chronic prostatitis and providing theoretical reference for subsequent clinical application.
