Mechanism of Tangmaikang Granules in treatment of diabetes peripheral neuropathy based on network pharmacology and molecular docking
Objective To explore the mechanism of Tangmaikang Granules in treatment of diabetes peripheral neuropathy based on network pharmacology and molecular docking.Methods The Traditional Chinese Medicine SystemsPharmacology Database and Analysis Platform(TCMSP)was searched to screen the chemical active ingredients in the Tangmaikang Granules.The drug targets were predicted by the SwissTargetPrediction Platform.Genecards Database,OMIM database,TTD database,and DisGeNET database were searched to predict DPN-related targets.After crossing the target genes of drugs and diseases,Cytoscape software was used to construct the drug-ingredient-target-disease network,and the PPI network plot was constructed by importing the String database.Gene Ontology(GO)annotation and Kyoto Encyclopedia of Genes and Genomes(KEGG)signal pathway enrichment were conducted by R software.Results The key chemical ingredients in Tangmaikang Granules for DPN are palmatine,magnograndiolide,and icosa-11,14,17-trienoic acid methyl ester,etc.,there are 331 common targets for drug-disease,the key proteins include cellular tumor antigen p53(TP53),catenin beta-1(CTNNB1),heat shock protein HSP 90-alpha(HSP90AA1).GO enrichment analysis showed that biological process included cellular response to chemical stress,response to nutrient levels,and peptidyl-tyrosine phosphorylation.Celelular component included membrane raft,membrane microdomain,and membrane region.Molecular function included protein tyrosine kinase activity,transmembrane receptor protein tyrosine kinase activity,and transmembrane receptor protein kinase activity.The pathways involved in KEGG enrichment analysis are the AGE-RAGE signaling pathway in diabetic complications,lipid and atherosclerosis,prostate cancer,EGFR tyrosine kinase inhibitor resistance,and central carbon metabolism in cancer,etc.The results of molecular docking showed that the binding energies of the seven key active components with the five core target proteins in Tangmaikang Granules were mostly≤-5.0 kcal/mol,indicating that the components may possessed good binding ability with the target proteins.Conclusion Network pharmacology and molecular docking have revealed that Tangmaikang Granules exerts its pharmacodynamic effect through multiple pathways and multiple signal pathways acting on multiple targets,it provides a basis for further explaining the mechanism of Tangmaikang Granule in the treatment of DPN.
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