Study On The Mechanism Of Zhuyu Annao Decoction In The Treatment Of Hemorrhagic Stroke Based On Network Pharmacology And Molecular Docking Technology

Objective: To reveal the mechanism of action of Zhuyu Annao Decoction in the treatment of Hemorrhagic Stroke,Network pharmacology were used to screen the main effective ingredients of Zhuyu Annao Decoction,infer the targets of the effective ingredients,construct a network of disease-targets,and detect to the conjugation of the active ingredients to the target site through molecular docking methods.The mechanism of Zhuyu Annao Decoction in the treatment of Hemorrhagic Stroke provides theoretical principles and research areas for experimental and pharma project in the future.Methods: Use the TCM System Pharmacology Technology Platform(TCMSP)and Chemistry Database to gather the potential targets and effective ingredients of Zhuyu Annao Decoction,and obtain the disease targets of Hemorrhagic Stroke in the Human Gene Database(Genecards),the Human Medielian Genetic Database(OMIM),and the Drug Database(DRUGBANK),and make use of the STRING database constructs the PPI protein interaction network.Though the Bioconductor Database and R4.2.2 software,the GO enrichment analysis and the KEGG pathway enrichment analysis of Zhuyu Annao Decoction are calculated.Using Auto Dock Tools 1.5.6 and Py MOL software detect to the conjugation of the active ingredients to the target site through molecular docking methods.Results: Using “OB≥30% and DL≥0.18”as the screening conditions in the TCMSP Database and the pertinent literature,the ten proportions of Zhuyu Annao Decoction were screening 84 effective ingredients,including beta-sitosterol,Glycine,Aspartic acid,ursolic acid and so on.Searching for 2843 disease targets of Hemorrhagic Stroke can obtain 15 core targets,for example,TNF,AKT1,MAPK1,ESR1,CREB1,etc.After molecular docking screening,it reveals that Aspartic acid,beta-sitosterol and ursolic acid have a strong binding activity less than-5.0 kcal/mol with core targets.2536 biological process items,105 cell function items and 165 molecular function items were enriched from GO function enrichment.They mainly include biological processes such as response to lipopolysaccharide,response to molecule of bacterial origin,response to oxidative stress,etc;cell functions such as membrane raft,membrane microdomain,synaptic membrane,etc;molecular functions such as nuclear receptor activity,ligand-activated transcription factor activity,neurotransmitter receptor activity,etc.The results of KEGG pathway enrichment were enriched to 186 pathways comprising AGE-RAGE signaling pathway in diabetic complications,IL-17 signaling pathway,Fluid shear stress and atherosclerosis,PI3K-Akt signaling pathway,TNF signaling pathway,etc.Conclusion: We can forecast the main ingredients of Zhuyu Annao Decoction,such as(-)-catechin,aloe-emodin,lauric acid,stearic acid,Toralactone,wallichilide,etc,will act on the core targets,just as MAPK1,AKT1,TNF,ESR1,CREB1,etc,to impact on AGE-RAGE signaling pathway in diabetic complications,IL-17 signaling pathway,Fluid shear stress and atherosclerosis,PI3K-Akt signaling pathway,TNF signaling pathway,etc.The result of molecular docking can provide that the actively components of Zhuyu Annao Decoction,such as Aspartic acid,beta-sitosterol and ursolic acid,have a strong binding with the core targets AKT1,MYC,MAPK14,STAT3.