Study on the mechanism of nelumbinis semen in the treatment of chronic enteritis based on network pharmacology and molecular docking
Objective To explore the mechanism of nelumbinis semen treatment for chronic enteritis by using net-work pharmacology and molecular docking.Methods The targets of nelumbinis semen were screened from BATMAN-TCM databases and TCMSP databases.The potential targets of chronic enteritis were obtained from GeneCards and Drugbank databases.The intersection of the two targets was taken as the research object.The construction of the interaction net-work between nelumbinis semen and chronic enteritis was constructed in Cytoscape.The PPI network and MCODE mod-ule were constructed through STRING database.GO enrichment analysis and KEGG enrichment analysis were performed by DAVID database and Metascape database.The target genes and corresponding active compounds were docked and visually analyzed by AutoDuck vina and PyMOL software.Results The main ingredients were selected from nelumbinis semen,which included 58 intersected targets related to chronic enteritis.The GO enrichment analysis showed that these genes were mainly enriched in voltage-gated sodium channels and postsynaptic membranes,and were involved in the bio-logical process of regulation of postsynaptic membrane potential and sodium ion transmembrane transport.KEGG enrich-ment analysis showed that the neuroactive ligand-receptor pathway was the most significant pathway enriched by inter-section targets.The results of molecular docking showed that the target genes and the corresponding active compounds had good binding affinity.Conclusion Nelumbinis semen exerted a therapeutic effect on chronic enteritis mainly by in-creasing the activity of acetylcholinesterase,regulating the level of 5-hydroxytryptamine,inhibiting the expression of cho-linergic receptors in the intestine,acting on the intestinal voltage-gated sodium ion signaling pathway and neuroactive ligand-receptor pathway.
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