A study on the mechanism of Dahuang-Huanglian in the treatment of hepatolenticular degeneration based on network pharmacology and molecular docking technology
Objective:To explore the mechanism of heat-clearing and dampness-eliminating Dahuang(Radix et Rhizoma Rhei)-Huanglian(Rhizoma Coptidis)in the treatment of hepatolenticular degeneration by network pharmacology and verify it by molecular docking.Methods:The TCMSP database was used to screen the effective components and targets of rhubarb-coptis chinensis,and the GeneCards database was used to include the targets of hepatolenticular degeneration disease.The intersection targets of the two were taken and the Venn diagram was drawn.The STRING database was used to obtain the protein interaction relationship,and the PPI network diagram was constructed by CytoScape 3.9.1 software to screen out the core targets of Dahuang-Huanglian in the treatment of hepatolenticular degeneration.GO and KEGG functional enrichment analysis of key targets was performed using the DAVID database,molecular docking was performed by AutoDock software,and visualization was performed by PyMol software.Results:A total of 19 active ingredients such as quercetin,rhein and β-sitosterol were retrieved,and 228 potential targets of Dahuang-Huanglian in the treatment of hepatolenticular degeneration were screened out.Thirty-nine core targets such as TP53,EGFR,IL-6,AKT1 and IL-1B were screened out by PPI network topology analysis.GO functional enrichment analysis showed 1 002 biological processes,and 108 cell components and 202 molecular functions.KEGG signal pathway enrichment analysis obtained 188 signal pathways.Conclusion:Dahuang-Huanglian may treat hepatolenticular degeneration through multiple targets and multiple pathways,which provides a theoretical basis for subsequent research.
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