The Mechanism of Shenzhiling Oral Liquid for Treating Alzheimer's Disease Based on Network Pharmacology and Molecular Docking
CHEN Haiyang
WEN Yichao
YU Zhihua
CHEN Jiulin
LIU Te
Abstract：Objective:To investigate the mechanism of Shenzhiling oral liquid for treating Alzheimer's disease(AD)based on network pharmacology and molecular docking technology.Methods:The chemical constituents related to traditional Chinese medicine(TCM)in Shenzhiling oral liquid and its action targets were found in Systematic Pharmacology Database and Analysis Platform of TCM(TCMSP)and bioinformatics analysis tool database of TCM molecular mechanism(BATMAN-TCM)database.The targets related to AD were obtained through DisGeNET database,and the potential targets of Shenzhiling oral liquid for the treatment of AD were further screened.A component-target interaction network were contructed using Cytoscape software to identify possible key targets and critical pathways.DAVID database was used for gene ontology(GO)analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis of potential targets.Molecular docking was used to predict the binding ability of active ingredients with target proteins.Results:A total of 34 potential active ingredients and 56 potential targets related to AD were screened in Shenzhiling oral liquid.GO biofunctional analysis contained a total of 541 enrichment results,which were mainly related to the positive regulation of gene expression and homologous protein binding,etc.KEGG enrichment yielded 214 metabolic pathways,which were mainly included the signaling pathways of Alzheimer's disease and autophagy signaling pathway.The molecular docking results indicated that β-sitosterol,kaempferol,and luteolin bind well with CASP3,PTGS2,IL6,TNF,and Bcl-2,which may be the most effective active ingredients of Shenzhiling oral liquid against Alzheimer's disease.Conclusion:The results of network pharmacology and molecular docking studies revealed the multi-component,multi-target,and multi-pathway action characteristics of Shenzhiling oral liquid for the treatment of Alzheimer's disease,and predicted its possible active components,action pathways and key targets,which provided theoretical foundations for the material basis of efficacy and mechanism of action.
Keywords：Alzheimer's diseaseShenzhiling oral liquidnetwork pharmacology
Publication Date：2024-09-01
Online Publishing Date：2025-08-15(First online date of this platform, not the publication date of the document)
Pages：8( 3104-3111 )