Mechanism of compound calamus Yizhi decoction in treatment of mild cognitive impairment based on network pharmacology and molecular doc-king technology
Aim:To explore the pharmacological mechanism of compound calamus Yizhi decoction in the treatment of mild cognitive impairment(MCI)based on network pharmacology and molecular docking technology.Method:Six active in-gredients and targets of compound calamus Yizhi decoction were obtained from TCMSP platform,PubChem and Swiss Target Prediction databases,and the genes related to MCI were obtained from GeneCards,DisGeNet,OMIM and TTD databases.Venny 2.1.0 platform was used to take the intersection of drug component targets and MCI-related target genes,then Cyto-scape 3.7.2 was used to construct the"drug-component-target-disease"network graph,and STRING platform was used to construct the protein-protein interaction(PPI)network graph.Then,KEGG pathway enrichment analysis and GO function enrichment analysis were performed using the Metascape platform.Autodock vina V1.2.0 was used to perform molecular docking of the core targets and main active components to verify the close relationship between them.Results:A total of 178 potential target genes in the treatment of MCI were obtained.Six key core targets including AKT1,TNF,EGFR,CASP3,IL1B and VEGFA were screened by PPI network,involving key core target proteins such as 7NH5,6Q00 and 8A27.KEGG pathway enrichment analysis showed that AKT1,TNF,IL1B and VEGFA were 4 key core targets in the AGE-RAGE signa-ling pathway.Molecular docking results showed that the active ingredients of compound calamus Yizhi decoction had good binding activity with 6 key core targets.Conclusion:The 6 main active ingredients of compound calamus Yizhi decoction could act on multiple targets such as AKT1,TNF and IL1B,etc,and play a role in the treatment of MCI by regulating the AGE-RAGE signaling pathway.
compound calamus Yizhi decoctionmild cognitive impairmentnetwork pharmacologymolecular dockinganalysis of enrichment
万方数据
维普
