Mechanism of action of Salvia miltiorrhiza in treatment of ischemic enteropathy based on network pharmacology and molecular docking technology
Objective To investigate the mechanism of action of Salvia miltiorrhiza in treatment of ischemic enteropathy by using network pharmacology and molecular docking technology. Methods The active components and predicted targets of Salvia miltiorrhiza were obtained by TCMSP database,and standardized in UniProt database to obtain the corresponding drug target genes. Target genes of ischemic bowel disease were obtained by GeneCards and OMIM databases. Drug target genes and disease target genes were introduced into the Venn diagram analysis platform to obtain potential targets of Salvia miltiorrhiza in treatment of ischemic bowel disease. Build a "Drug-ingredient-target-disease" network using Cytoscape3.8.2 software. Potential targets were imported into STRING database for protein interaction (PPI) network analysis. Metascape database was used for GO functional enrichment analysis and KEGG pathway analysis for potential targets. Finally,AutoDock vina,PyMOL and other software were used to analyze and verify the effective chemical components and key target genes of Salvia miltiorrhiza. Results A total of 65 active compounds of Salvia miltiorrhiza,139 target genes of Salvia miltiorrhiza and 2 799 target genes of ischemic bowel disease were obtained,among which 84 target genes of Salvia miltiorrhiza and ischemic bowel disease were combined. Network construction revealed that luteolin,tanshinone ⅡA,and neocryptotanshinone II were the main compound components of Salvia miltiorrhiza acting in ischemic bowel disease. Akt1,TNF,ESR1,JUN,and SLC6A3 were identified as key target genes by PPI network analysis. The enrichment results showed that biological processes such as cellular response to nitrogen compounds,cellular response to organocyclic compounds,and cellular response to organic nitrogen compounds regulated lipids and atherosclerosis,fluid shear stress and atherosclerosis,PI3K/Akt signaling pathway,cGMP PKG signaling pathway,and TNF signaling pathway signaling pathways play a therapeutic role in ischemic bowel disease. The results of molecular docking indicated that the active chemical components of Salvia miltiorrhiza and the target genes of ischemic enteropathy have good binding. Conclusion Salvia miltiorrhiza may act on core target genes such as Akt1,TNF,and ESR1 to regulate lipids and atherosclerosis,fluid shear stress and atherosclerosis,through the active ingredients such as luteolin,tanshinone ⅡA and neocryptotanshinone Ⅱ and other signaling pathways play a therapeutic role in ischemic bowel disease.
Salvia miltiorrhizaischemic enteropathynetwork pharmacologymolecular dockingluteolintanshinone ⅡAneocryptotanshinone Ⅱ
NETL
NSTL
万方数据
