Study On The Mechanism Of Liuwei Dihuang Pill Decoction In The Treatment Of Diabete Retinopathy Based On Network Pharmacology And Molecular Docking Method

Objective:To study the mechanism of Liuwei Dihuang Pill in the treatment of diabetes retinopathy by using network pharmacology and molecular docking methods,and to provide reference for the therapeuticeffect of Liuwei Dihuang pill.Methods:The compound and target of Liuwei Dihuang pill were obtained and screened by tcmsp database,and the gene name of the target was obtained by Uni Prot software;The targets of diabetes retinopathy were searched in genecards database,drugbank database,Pharm GKB database,OMIM database and TTD database;Use Venny 2.1.0 software to find the intersection target of drug target and disease target,and make Wayne diagram;The PPI network diagram is obtained by using string database,and the core target of the network is screened.The "drug active component action target" visual network diagram is established by Cytoscape3.8.2 software,and the topological attribute is analyzed to screen the core drug components;To predict the mechanism of Liuwei Dihuang Pill in the treatment of diabetes retinopathy,go function enrichment analysis and KEGG pathway enrichment analysis were performed on the target with R software.Finally,Sybyl-x2.0software for molecular docking,establish a molecular docking model,and predict the binding activity between the core drug components and the core target of Liuwei Dihuang pill.Results:(1)a total of 74 effective compounds were screened out in Liuwei Dihuang pill,including 2 prepared rehmannia,16 yams,20 Cornus,10 Alisma orientalis,10 Cortex Moutan and 15 Poria cocos.A total of 3802 targets of traditional Chinese medicine were screened through the database,including325 cooked land,850 yams,1842 Cornus,163 Alisma orientalis,501 Cortex Moutan and 121 Poria cocos.(2)A total of 3511 disease targets were screened through the database;(3)112 intersection targets of drugs and diseases;(4)PPI network involves 9 core targets,including MAPK1、HSP90AA1、AKT1、TP53、JUN、ESR1、RB1、CDKN1A、MYC.(5)The core drug components are quercetin,kaempferol β-Glutasterol,hydroxy Wuhua,diosgenin ligand,tetrahydropalmatine.(6)A total of 2210 items were obtained from go enrichment analysis,including 1975 biological processes,mainly including the metabolic process of reactive oxygen species,the response of cells to chemical stress,the response of metal ions,the regulation of reactive oxygen species metabolic process,oxidative stress response,etc;There are 64 cells,mainly including membrane raft,membrane microdomain,caveolae,outer membrane of organelle,outer membrane and cyclin dependent protein kinase holoenzyme complex;There are 171 molecular functions,mainly including nuclear receptor activity,ligand activated transcription factor activity,DNA binding transcription factor binding,serine hydrolase activity and so on.(7)A total of 176 signaling pathways were obtained by KEGG enrichment analysis,mainly involving lipid and atherosclerosis pathways,AGE-RAGE signaling pathway and HIF-1 signaling pathway in diabetes complications.(8)The results of molecular docking showed that the key compounds in Liuwei Dihuang pill had good binding activity with core targets,indicating that Liuwei Dihuang pill has the characteristics of multi-component and multi-target in the treatment of diabetes retinopathy.Conclusion:Liuwei Dihuang pill through core compounds such as quercetin,kaempferol,β-sitosterol,Hydroxygenkwanin,Diosgenin,it acts on key targets such as TP53,MAPK1,AKT1,JUN,and lipid and atherosclerosis pathways,which reflects the synergistic characteristics of multiple component,multiple target and multiple pathway.