摘要
Abstract
Objective To explore the therapeutic mechanism of Plantago asiatica Gentiana on eczema through network pharmacology.Methods The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP)was used to search for active compounds and corresponding targets in Plantago asiatica and Gentiana scabra.Uni Prot was used to convert them into corresponding gene names,and the eczema disease targets were obtained by integrating Gene Cards and TTD databases.Construct a network diagram of"Plantago asiatica gentian herb active ingredient target"using Cytoscape 3.9.1,and obtain the intersection targets of Plantago asiatica gentian herb and eczema using Venny 2.1.0.Constructing protein interaction networks using STRING database and analyzing them using DAVID database to obtain gene ontology(GO)functional interpretation and enriched research results on Kyoto Encyclopedia of Genes and Genomes(KEGG)pathways Perform molecular docking analysis using AutoDock 1.5.6 software.Results The study found that Plantago asiatica Gentiana mainly exerts its therapeutic effect on eczema through seven active ingredients,including kaempferol,gentian,and quercetin.GO and KEGG enrichment analysis shows that biological processes mainly involve the response to exogenous stimuli,the response to bacterial molecules,the response to lipopolysaccharide,the cell response to organic nitrogen compounds,the aromatic hydrocarbon receptor pathway,the advanced glycation end products receptor(AGE-RAGE)signal pathway,the cell response to nitrogen compounds,the interleukin-26 signal,the response to tumor necrosis factor,Netrin UNC5B signal,etc.The signal pathways mainly include AGE-RAGE signal pathway,toxoplasmosis,lipid and atherosclerosis,fluid shear stress and atherosclerosis,chemical carcinogenesis receptor activation,TNF signal pathway,chemical carcinogenesis DNA adduct,leishmaniasis,cytochrome P450 metabolism of exogenous substances,pulmonary tuberculosis,etc.in the complications of diabetes.In the docking results,Gentisin had the highest binding score with tumor necrosis factor among all combinations,reaching-8.0 kcal/mol(equivalent to-33.4 kJ/mol in international units),indicating the best affinity.The drug has good binding activity with the main active ingredients and core target proteins.Conclusion Plantago asiatica Gentiana can treat eczema through effective active ingredients such as kaempferol,gentian,and quercetin,with multiple targets and pathways.关键词
湿疹/车前子/龙胆草/网络药理学/分子对接Key words
eczema/Cheqianzi/Gentiana/Network pharmacology/molecular docking分类
医药卫生
