Exploring The Mechanism Of Xuan-Yun-Ling In The Treatment Of Vertigo Diseases Based On Network Pharmacology And Molecular Docking

Objective: This study is based on network pharmacology analysis of the potential action mechanism of Xuan-Yun-Ling in the treatment of vertigo disease,exploring its targets and signaling pathways that may play a therapeutic role,and clarifying the stability of binding between effective ingredients and core targets from molecular technology aspects,further providing references for new drug development and clinical trials.Methods: First,the effective chemical components of Xuan-Yun-Ling were retrieved through TCMSP database,then Pub Chem and Swiss target prediction databases were utilized to obtain the potential targets corresponding to the ingredients of TCM,and with the help of BATMAN-TCM database to obtain the effective chemical components and targets of TCM formulas that were not retrieved in TCMSP,the data on the chemical components and targets of TCM formulas were supplemented.Next,the target genes of vertigo disease were predicted by Drugbank、Gene Cards and Dis Ge NET databases,and the disease gene names were uniformly normalized by Uni Prot protein database.Then,the intersection targets of TCM compound formulas and diseases were obtained using the micro-Sheng Xin online platform,on the one hand,vertigo-effective chemical ingredients intersection targets vertigo disease network was constructed by cytoscape3.8.2software to obtain the core ingredients;On one hand,the intersection targets were input into string database to construct a protein interaction relationship network(PPI network),then the PPI network was visualized and analyzed by cytoscape3.8.2 software to obtain the core targets;Go and KEGG enrichment analyses were also performed using the metascape database.Molecular structures of ingredients and targets were retrieved through Pub Chem database,PDB database respectively,verified by molecular docking using autodocktools,and finally,the analysis results were visualized by Py MOL software Chemother.Results: A total of 138 effective chemical compounds were obtained from the traditional Chinese medicine compound vertigo Ling,of which 1127 were potential action targets and416 were common targets with vertigo disease.Network topology analysis yielded quercetin,kaempferol,baicalein,isorhamnetin,beta-sitosterol,the core target of vertigo treatment involves SRC,MAPK3,HSP90AA1,STAT3,MAPK1,PIK3R1,PIK3 CA,HRAS,PTPN11,AKT1 and so on.Go enrichment analysis revealed that these gene targets affected the activities of protein kinases,neurotransmitters and channels,and other biological processes in molecular functions,such as cellular response to nitrogen compounds,positive regulation of phosphorylation,hormone response,circulatory system process,positive regulation of cell migration,response to foreign stimuli,and inflammatory response;KEGG enrichment analysis revealed 299 entries,mainly focusing on pathways in cancer,neuroactive ligand receptor interactions,lipids and atherosclerosis,pathways in neurodegeneration-diverse diseases,c AMP signaling pathway,serotonergic synapses,regulation of inflammatory mediators by TRP channels,gap junctions,amphetamine addiction,diabetic cardiomyopathy,platinum resistance,c GMP PKG signaling pathway,transcriptional dysregulation in cancer,platelet activation Axon guidance,African trypanosomiasis,JAK-STAT signaling,p53 signaling,progesterone mediated oocyte maturation,and nuclear factor kappa B signaling.Molecular docking revealed that quercetin,kaempferol,β-sitosterol showed good binding activity with SRC,HSP90AA1,STAT3,PIK3 CA,HRAS,AKT1.Conclusion: Xuan-Yun-Ling contains quercetin,kaempferol,baicalein and other core components which intervene in protein kinases,signal transducers and transcription factors through lipid and atherosclerosis,pathways of neurodegeneration-multiple diseases,c AMP signaling pathway,serotonergic synapses,regulation of inflammatory mediators of TRP channels,c GMP PKG signaling pathway,platelet activation,JAK-STAT signaling pathway,nuclear factor kappa B signaling pathway and other pathways,act on SRC,STAT3 and other key targets to exert anti-inflammatory responses,trophic nerves,and anti atherosclerosis.Antiplatelet aggregation,regulation of apoptosis and other effects,Xuan-Yun-Ling is able to exert therapeutic effects through multi-target and multi signal pathways.