Exploring The Medication Rules Of Unstable Angina Pectoris With Qi Stagnation And Blood Stasis Based On Data Mining And Network Pharmacolog

Purpose:Based on data mining statistics,we analyzed the medication pattern of unstable angina pectoris with Qi stagnation and blood stasis,explored the inner meaning of drug combinations,and actively explored the new drug combinations implied therein,in order to provide data support for the prescription of clinical treatment of unstable angina pectoris with Qi stagnation and blood stasis.We also use network pharmacology to reveal the mechanism of action of the core drug "Bupleurum-Salvia Miltiorrhiza-Ligusticum wallichii" in the treatment of unstable angina pectoris,and provide objective reference value for the treatment of unstable angina pectoris with Chinese medicine.Material and method:We collected and compiled the inpatient cases of unstable angina pectoris with Qi stagnation and blood stasis that met the criteria from June 2019 to June 2022 in the Department of Cardiology of the Affiliated Hospital of Liaoning University of Chinese Medicine,and used IBM SPSS 26.0 and IBM SPSS Modeler 18.1 software to conduct frequency statistics,association rule analysis and cluster analysis to mine high frequency drugs,high frequency drug pairs and new drug combinations.With the help of network pharmacology,we obtained the active ingredients and targets of the core drug "Bupleurum-Salvia Miltiorrhiza-Ligusticum wallichii" through TCMSP database,and the targets of unstable angina through Gene Cards,DRUGBANK,Disdeget and other databases,and normalized the drug and disease targets in Uniprot The intersection targets were obtained by normalizing the drug and disease targets in Uniprot database.The intersection targets were analyzed by PPI network using STRING database and visualized by Cytoscape 3.9.1 software,and GO enrichment analysis and KEGG enrichment analysis were performed by Metascape database.Finally,the core target protein structures were obtained from the PDB database,the key active ingredient mol2 format files were obtained from the Pubchem database,molecular docking was performed using Auto Dock Tools 1.5.7 software,and the molecular docking results were visualized using Py MOL 2.5.4 software.Results:1.The present study included 202 cases and 202 prescriptions of traditional Chinese medicine,involving a total of 200 drugs.Gender and age statistics showed that there were more male patients than female patients with unstable angina pectoris with Qi stagnation and blood stasis evidence,and 61-70 years old was the age group with the highest incidence.Frequency statistics showed that blood-activating and blood-stasis drugs were the most used drugs in clinical treatment of unstable angina pectoris with qi stagnation and blood stasis evidence,followed by deficiency tonic drugs,together with qi-regulating drugs,heat-clearing drugs,epi-relief drugs and tranquilizers,etc.The top three high-frequency drugs were Bupleurum,Salvia Miltiorrhiza and Ligusticum wallichii.The four qi of drugs are mainly cold,warm and flat,and the five tastes are mainly bitter,pungent and sweet,and the drugs are mostly attributed to liver,lung,spleen and heart meridians.The prescriptions were analyzed by association rules and cluster analysis,and 25 high-frequency drug pairs and 7 new drug combinations were mined.2.The core drug "Bupleurum-Salvia Miltiorrhiza-Ligusticum wallichii" for the treatment of unstable angina has 76 active ingredients,of which quercetin,kaempferol,lignanin,tanshinone IIA,cryptotanshinone and dousterol are the key active ingredients,and 130drug-disease intersection targets,of which AKT1,TP53,TNF,IL6,VEGFA,CASP3,EGFR,ESR1,STAT3 and IL1 B are the core targets.GO enrichment analysis showed that the core drugs may be involved in biological processes through cellular components such as membrane rafts,transcriptional regulatory complexes,receptor complexes,DNA binding transcription factor binding,kinase binding,protein structural domain specific binding,cellular lipid metabolism,response to inorganic substances,response to hormones and oxygen levels,etc.KEGG enrichment analysis revealed that cancer signaling pathway,lipid and atherosclerosis signaling pathway,fluid shear stress and atherosclerosis signaling pathway,PI3K-AKT signaling pathway,and HIF-1 hypoxia-inducible factor signaling pathway may be the main signaling pathways of core drug for the treatment of unstable angina pectoris.The molecular docking results of core targets and key active ingredients showed that the core targets bind well to the key active ingredients,and the best binding combination of docking was TP53 and quercetin with STAT3 and cryptotanshinone.Conclusion:1.Clinical treatment of unstable angina pectoris with Qi stagnation and blood stasis is based on the basic principle of invigorating blood stasis,regulating Qi and clearing the ligaments,taking into account the deficiency,and combining the generalization and supplementation to balance the Qi,blood,yin and yang of the heart and the internal organs,and according to the patient’s different concomitant symptoms with heat-clearing drugs,antiphlogistic drugs,tranquilizing drugs,etc.2.The key active ingredients of the core drug "Bupleurum-Salvia Miltiorrhiza-Ligusticum wallichii" for the treatment of unstable angina are quercetin,kaempferol,lignan,tanshinone IIA,cryptotanshinone,and dousterol,which may regulate the cancer signaling pathway,lipid and atherosclerosis signaling pathway,fluid shear stress and atherosclerosis signaling pathway,PI3K-AKT signaling pathway,HIF-1,STAT3,and IL1 B through the core targets of AKT1,TPT3,TNF,IL6,VEGFA,CASP3,EGFR,ESR1,and IL1 B.STAT3,IL1 B and other core targets to regulate cancer signaling pathway,lipid and atherosclerosis signaling pathway,fluid shear stress and atherosclerosis signaling pathway,PI3K-AKT signaling pathway,HIF-1hypoxia-inducible factor signaling pathway and other signaling pathways to intervene and treat unstable angina.