Study On The Medication Rules And Mechanism Of Spleen And Stomach Damp-heat Type Acne Based On Data Mining And Network Pharmacology Technolog

Purpose: Use data mining and network pharmacology technology to study the medication rule and mechanism of spleen-stomach damp-heat acne.Material and method:1.Take China National Knowledge Infrastructure(CNKI),Wanfang Data Knowledge Service Platform,China Science and Technology Periodical Database VIP Database(VIP),China Biomedical Literature Service System(Sino Med),and Pub Med Database as data sources,and use "acne","acne" and "acne" as data sources.”,“ spleen-stomach”,“damp heat”,and “traditional Chinese medicine” were the search topics,and the literatures of the past 15 years were retrieved as research materials.2.Screen the retrieved literature according to the inclusion and exclusion criteria,extract and proofread the relevant information and data of the final included literature,enter the Excel table and conduct statistical analysis;use IBM SPSS Statistics23 to evaluate the high incidence of acne in the treatment of spleen and stomach damp-heat type.Factor analysis and R-type system clustering analysis were performed on the frequency of traditional Chinese medicine;IBM SPSS Modeler 18 was used to analyze the association rules of prescriptions for the treatment of spleen-stomach damp-heat acne,and the results of association rule analysis were imported into Cytoscape v3.7.2 for topological parameter analysis and construction of core drugs network diagram.3.Take the finally excavated Chinese medicine as the core representative traditional Chinese medicine for the treatment of spleen-stomach damp-heat acne,use the TCMSP database and TCM Database to retrieve all the chemical components of the core Chinese medicine,and use the oral bioavailability OB≥30% and drug-like DL≥0.18 As a screening condition,the corresponding target of the compound was searched,and then the corresponding target name was converted into a human gene name through the Uniprot database,and the drug-active compound-target interaction network was constructed using Cytoscape v3.7.2 software;OMIM database,Dis Ge NET database,Gene Cards Database,search acne disease targets,screen active compound targets of core traditional Chinese medicines and disease target intersection targets,use Cytoscape v3.7.2 software to construct drug active compound-disease-target interaction network and conduct topological parameter analysis;The String database analyzes the human protein interaction network of the intersection targets of drugs and diseases,and then uses the Cytoscape v3.7.2 software to analyze the topological parameters of the protein interaction network and screen out the core targets;through the Metascape database,the intersection of drugs and diseases is analyzed.The target was subjected to GO function analysis and KEGG enrichment pathway analysis,combined with DAVID database and Cytoscape v3.7.2 software to construct an active compound-target-pathway network map;download from RCSB database and Pub Chem database to obtain the crystal structure of the target protein and the contents of traditional Chinese medicine.The 3D structure of the compound small molecule was carried out using Auto Dock Vina 1.1.2 software for molecular docking work.Results:1.A total of 138 symptoms of acne skin lesions of spleen and stomach damp-heat type were extracted from the 187 literatures that were finally included.The symptoms of skin lesions were mainly pustules,red,swollen and painful,accompanied by greasy skin,nodules,red papules,etc.,and could be seen on the face,Neck,chest and back.2.A total of 173 kinds of traditional Chinese medicines were extracted from the 187literatures,and the total frequency of use was 2062.Among them,Scutellaria baicalensis was the most frequently used traditional Chinese medicine,and the frequency of use reached 124;Heat-clearing and detoxifying drugs;most of the drugs are bitter and cold,and most of them belong to the lung and stomach channels.3.Scutellaria,licorice,forsythia,raw land,dandelion,loquat leaf,mulberry white bark,gardenia,and peony bark were selected as the core representative drugs for the treatment of spleen-stomach damp-heat acne through factor analysis,cluster analysis,and association rules.4.Scutellaria baicalensis has a total of 36 active ingredients,licorice has a total of 92active ingredients,forsythia has a total of 23 active ingredients,raw land has a total of 5active ingredients,dandelion has a total of 11 active ingredients,loquat leaves have a total of 18 active ingredients,and mulberry white bark has a total of 18 active ingredients.There are 32 active ingredients,15 active ingredients in gardenia,11 active ingredients in peony bark,507 active ingredients in Scutellaria baicalensis,1767 active ingredients in licorice,479 active ingredients in forsythia,loquat The active ingredients of leaves correspond to 459 targets,the active ingredients of Morus alba correspond to426 targets,the active ingredients of Gardenia correspond to 345 targets,and the active ingredients of Cortex Moutan correspond to 230 targets.5.The protein interaction network analysis of core representative drugs found 15 core targets: AKT1,IL-6,TP53,TNF,PTGS2,JUN,EGFR,IL-1β,MMP9,MAPK1,CCL2,TLR4,IL-10,MAPK8,ESR1.Quercetin,epigallocatechin 3-gallate,kaempferol,luteolin,and wogonin are the main components in the treatment of spleen-stomach damp-heat acne.6.GO functional analysis found that the core drug treatment of spleen-stomach damp-heat acne involves biological processes such as the response to hormones,the regulation of inflammatory responses,and the response to UV-A.The TNF signaling pathway,HIF-1 signaling pathway,IL-17 signaling pathway,endocrine resistance,and MAPK signaling pathway obtained by KEGG pathway enrichment analysis were directly or indirectly related to the pathogenesis and treatment of spleen-stomach damp-heat acne.7.Molecular docking verified that the main effect of AKT1 protein and small molecule Quercetin is hydrogen bond and hydrophobic interaction,which may be the main effect type of Quercetin small molecule on AKT1 protein.Conclusion:1.Spleen-stomach damp-heat acne is mainly related to the stomach,lungs and the spleen,involving large intestine.Clinical medication follows the principles of clearing heat and removing dampness,as well as strengthening the spleen and eliminating carbuncle.Therefore,traditional Chinese medicines for clearing heat and removing dampness are mostly used.2.Active chemicals such as quercetin,EGCG,kaempferol,luteolin and wogonin contained in several traditional Chinese medicines such as skullcap,licorice,forsythia,raw land,dandelion,loquat leaf,mulberry white bark,gardenia,and peony bark Components pass through core targets AKT1,IL-6,TP53,TNF,PTGS2,JUN,EGFR,IL-1β,MMP9,MAPK1,CCL2,TLR4,IL-10,MAPK8,ESR1 to treat spleen-stomach damp-heat acne.3.Scutellaria baicalensis,licorice,forsythia,raw land,dandelion,loquat leaves,mulberry white bark,gardenia,and peony bark in the treatment of spleen-stomach damp-heat acne involves response to hormones,regulation of inflammatory responses,responses to UV-A and other biological processes and TNF signaling pathway,HIF-1signaling pathway,IL-17 signaling pathway,endocrine resistance,MAPK signaling pathway and other signaling pathways.