Exploration on Medication Rules and Mechanism of YANG Lixin in Treating Tic Disorders Based on Data Mining and Network Pharmacology / 中药新药与临床药理

ABSTRACT

Objective To analyze the medication rules and mechanism of Professor YANG Lixin in the treatment of tic disorder(TD)and to provide reference for the treatment of tic disorder.Methods Medical records of Professor YANG Lixin's treatment of tic disorder from the pediatric outpatient department of Guangdong Hospital of Chinese Medicine in 2016 was collected.Frequency analysis and cluster analysis were carried out by using TCM inheritance assistance platform(V2.5)to obtain the core prescriptions.Then network pharmacological analysis was conducted according to the above results.TCMSP,ETCM,TCMID,Batman and other databases were used to screen the active constituent of core prescription,then Genecard,Drugbank and other databases were used to obtain TD-related disease targets and generate Venn diagram.The drug-disease intersection targets were obtained and uploaded to STRING.The core network was built by using Cytoscape 3.7.2.GO functional enrichment analysis and KEGG pathway enrichment analysis of common targets were performed using Metascape database.Finally,molecular docking was performed using AutoDock vina and Pyrx to further screen the core target of the core prescription for TD treatment.Results A total of 3 443 medical records were collected,involving 77 kinds of Chinese medicinals,10 kinds of high-frequency drugs.The medicinal herb in cold nature was the most used.The main meridians were lung meridian and spleen meridian.The mainly medicinal flavor was pungent,sweet and bitter.A total of 32 data and 4 core combinations were obtained from the association rules and the cluster analysis,respectively.There were 145 core active ingredients,220 target genes,1 290 disease targets,and 58 drug-disease common targets for 7 core drugs(Citri Reticulatae Pericarpium,Glycyrrhizae Radix et Rhizoma,Pinelliae Rhizoma Preparatum,Bambusae Caulis in Taenias,Poria,Ostreae Concha,Uncariae Ramulus Cum Uncis).There were 422 GO enrichment items,304 biological processes,44 cellular processes,74 molecular functions,186 biological functions,and 68 KEGG enrichment pathways.The main active ingredients are kaempferol,7-methoxy-2-methyl isoflavone,formononetin and β-sitosterol,which mainly act on SLC6A4,SLC6A3,HTR2A and HTR2C,etc..Signal transduction is regulated through key signaling pathways such as neuroactive ligand-receptor interaction,serotonin synapses,cGMP-PKG.Molecular docking results showed that core targets had strong binding activity with their corresponding compounds.Conclusion Data mining,network pharmacological analysis and molecular docking were used to obtain the medication rules and the mechanism of Professor YANG Lixin for treating TD,which provide ideas for the new prescription combination in treating TD.