Exploring the mechanism of action of Heiguteng Zhuifeng Huoluo capsule in the treatment of rheumatoid arthritis based on network pharmacology and molecular docking
Objective To explore the mechanism of Heiguteng Zhuifeng Huoluo capsule(HZC)in the treatment of rheumatoid arthritis(RA)based on network pharmacology and molecular docking.Methods The active ingredients of the compound were obtained through ETCM database and literature review,and the Swiss Target Prediction platform was utilized for target prediction.The GeneCards,DisGeNET,and OMIM databases were utilized to screen RA-related targets,and Venn diagrams were drawn to obtain drug-disease intersection targets.The protein-protein interaction(PPI)network was constructed using the STRING platform,and the potential key targets were screened using the centiscape2.2 plug-in in Cytoscape3.9.1 software.GO function and KEGG pathway enrichment analysis of key targets were performed using the DAVID database,and the drug-active ingredient-target-pathway network was mapped using Cytoscape3.9.1 software.Finally,the core components were selected for molecular docking with the core targets.Results A total of 32 effective components were screened,and 91 targets of drug and disease intersection were identified.The main active components were Quercetin,Tuduranine Hydrochloride and Periplogenin.The core targets were tumor necrosis factor(TNF),signal transducer and activator of transcription 3(STAT3),and epidermal growth factor receptor(EGFR).The mechanism of action may be related to HIF-1 signaling pathway,TNF signaling pathway,PI3K-Akt signaling pathway,JAK-STAT signaling pathway and so on.Molecular docking showed that the main active components had good docking activity with the key targets.Conclusion HZC can treat RA through a multi-target and multi-pathway mechanism of action.
NETL
NSTL
万方数据
维普
