A study on the mechanism of treating nonalcoholic steatohepatitis with Danshen based on network pharmacology and molecular docking technology
Objective:The development of nonalcoholic steatohepatitis(NASH)is not only an important pathological stage,but also a critical period of treatment,the development of which can undergo reversible changes,but can also evolve into fibrosis,cirrhosis or primary liver cancer.Network pharmacology is a direct data analysis of drug-component-target-disease,showing that the pharmacodynamic mechanism of a drug can synergistically act on the human body through multiple pathways.Molecular docking technology is widely regarded as a powerful tool for drug design,which can predict the binding conformation of drugs and diseases at the molecular level.Through the study of network pharmacology and molecular docking,the mechanism of action of Danshen(Radix et Rhizoma Salviae Miltiorrhizae)in NASH was explored.The mechanism of action of Danshen in NASH was explored by network pharmacology and molecular docking.Methods:With the help of databases such as TCMSP,GeneCards,DisGeNET,TTD,DrugBank and OMIM,the main active components of Danshen and the therapeutic targets for NASH were determined.Using the Cytascape 3.7.2 software system,a component target network diagram was created,the Venny 2.1.0 online tool was used to obtain its intersection targets,then the STRING system was used for PPI network analysis,and the Metascape platform was used for GO and KEGG enrichment analysis.Finally,AutoDock Tools was used for molecular docking,and PyMOL software was used to visualize the results.Results:A total of 62 active ingredients were obtained from Danshen for intervention in NASH,the components such as α-amyrin,tanshinone ⅱa,luteolin,salviolone are more critical.There are 86 targets related to NASH,among which the most important are PTGS2,NCOA1,ADRB2,etc..GO showed cellular responses to lipids,decreased oxygen levels,and so on.KEGG is mainly related to signal pathways such as HIF-1,Relaxin,PPAR,AMPK,Wnt and NF-κB.Molecular docking also confirmed a good binding force between the two.Conclusion:Danshen can improve NASH through multiple molecules and pathways,including cancer pathway,lipid and atherosclerosis,endocrine resistance,insulin resistance,regulation of lipolysis in adipocytes and other mechanisms.
万方数据
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