Study And Analysis On The Drug Use Rule And Network Pharmacology Mechanism Of National Patent Compound Of Traditional Chinese Medicine In Treating Chronic Hepatitis B

Objective:Through data mining and network pharmacology technology,this paper analyzes and discusses the potential regularity of the compatibility of the national patent compound Chinese medicine in the treatment of chronic hepatitis B(CHB)and the mechanism of the core Chinese medicine in the treatment of CHB,summarizes and expounds the drug use law of the national patent compound Chinese medicine in the treatment of CHB and the mechanism of the core Chinese medicine in the treatment of CHB,with a view to providing a reference for the treatment of CHB with traditional Chinese medicine and the development of new drugs.Methods:(1)Data mining: From the establishment of the database to December 1,2022,TCM patent compounds for the treatment of CHB included in the national patent database were searched,screened according to the inclusion and exclusion criteria of TCM patent compounds,and the final TCM compounds needed to be studied were obtained,and standardized processing was carried out,and the summarized data of TCM compounds were input into Excel table.The research database of TCM patented compound treatment CHB was established and imported into the latest software of Traditional Chinese Medicine Inheritance Computing System V3.0(Traditional Chinese Medicine Inheritance Computing System V3.0,TCMICS V3.0)for frequency,efficacy,sex and taste normalization statistics,association rule analysis and cluster analysis,and traditional Chinese medicine theory explanation and explanation.(2)Network pharmacology: Conduct network pharmacology research on the core formula excavated in the previous step.Active compounds of the core drug combination were collected by network pharmacology,disease targets of CHB were collected,drug-disease common targets were obtained,core targets were screened,and GO functional enrichment analysis and KEGG pathway enrichment analysis were performed for drug-disease common targets,and the mechanism of action of the core prescription in treating CHB was analyzed from the perspective of network pharmacology.luteolin,quercetin and kaempferol,the three main active compounds with the top degree values were selected for molecular docking verification with the target proteins AR,ESR1 and PTGS2 with the top degree values,respectively.Results: Data mining: a total of 295 Chinese herbal compounds and 554 Chinese herbal medicines were sorted out;The top three of the four Qi are cold,warm and calm;The first three flavors are bitter,sweet and spicy;The main meridians of drugs are liver,spleen,lung,stomach and heart meridians;The main efficacy is to replenish deficiency,clear heat,and promote water and moisture;There are 32 traditional Chinese medicines with the frequency of 29 times or more,and they are mainly drugs for tonifying deficiency;There were 56 groups with drug combination frequency of 30 times or more;The554 Chinese herbs were divided into 4 clusters.Network pharmacology: There are 196 active ingredients in the core prescription traditional Chinese medicine "Bupleurum chinense,licorice,salvia miltiorrhiza,wormwood,astragalus,hedyotis diffusa".122 potential targets.There are 87 drug-disease common targets,1841 GO-BP,151GO-MF,and 100 GO-CC,158 signal pathways related to CHB,and 9 pairs of molecular docking between main active compounds and main targets.Conclusion(s):(1)According to the analysis of the four Qi and five tastes of 295 TCM compounds,the properties of TCM selected in the treatment of CHB were mainly cold,warm and flat,the five tastes were mainly bitter,sweet and xin,and the main drugs were mainly liver,spleen,lung,stomach and heart channels.(2)The common drugs used in the treatment of viral hepatitis B by the national patent compound include wormwood,bupleurum bupleurum,glycyrrhiza miltiorrhiza,Astragalus membranaceus,Polygonum polygonum polygonum,Hedyshyotis sinensis,turpentine,white peony root and white rhizoma atractylodes.(3)In efficacy classification statistics,supplementing deficiency,clearing heat,benefiting water and oozing dampness,promoting blood circulation and removing blood stasis,and regulating qi were used the most.Reflects the national patent Chinese medicine compound treatment of CHB pay attention to the harmony of Yin and Yang,strengthening and dispelling evil,attack and tonic overall treatment principles.(4)According to the formula formulation rule of association rules,there are many combinations and associations between Radix chenchen,Bupleurum bupleurum,Polygonum cuspidatum,Astragalus membranaceus,Rhizoma albus alba,and other drugs,suggesting that the treatment of CHB by national patent compound of traditional Chinese medicine focuses on clearing dampness-heat of liver and gallbladder,regulating liver qi,and nourishing qi and blood,which reflects the treatment focus of both attack and tonic.Four new prescriptions for CHB were obtained by cluster analysis.(5)Network pharmacological study found that the core drug combination acts on IL6,EGFR,TP53,VEGFA,ESR1,IL1 B,MAPK3,EGF,PTGS and CAT through quercetin,sinaphthol,luteolin,tanshinone IIA,β-sitosterol,stigmasterol and other active drug components.It regulates biological processes such as nutrient level response and drug response,further regulates signaling pathways such as IL-17,TNF and Th17 cell differentiation,and exerts antiviral,anti-inflammatory,antioxidant stress,anti-fibrosis,and anti-tumor effects,so as to achieve therapeutic effects on CHB.