Study on the Mechanism of Modified Chaihu Guizhi Decoction in Treating Coronary Heart Disease with Anxiety and Depression Based on Network Pharmacology and Molecular Docking
Objective:To explore the mechanism of action of modified Chaihu Guizhi Decoction in the treatment of coronary heart disease with anxiety and depression Based on network pharmacology and molecular docking.Methods:TCMSP,ETCM,and BATMAN-TCM databases were used to screen the active ingredients and corre-sponding targets of modified Chaihu Guizhi Decoction.Gene Cards,DisGeNet,OMIM,and TTD databases were used to screen targets for coronary heart disease,anxiety,and depression.The EVenn platform interactive mapping was used to obtain drug disease intersection targets.A drug active ingredient core target disease interaction net-work was constructed using Cytoscape software.The intersection targets were imported into the STRING database to obtain the PPI network and perform network topology analysis.The Metascape platform was utilized to conduct GO and KEGG enrichment analysis,and the Micro Bioinformatics platform was used to visualize processing;the top 5 drug targets and intersection targets were selected for molecular docking and to draw heat maps on the CB-DOCK2 platform.Results:A total of 296 active ingredients were obtained from modified Chaihu Guizhi Decoction,and the top 10 active ingredients ranked in order were quercetin,kaempferol,stigmasterol,luteolin,isorhamnetin,baicalin,5-methyl-7-methoxyisoflavone,mangiferin,aconitine,and pistil isoflavone,corresponding to 225 unique targets.A total of 3 465 intersection targets for coronary heart disease,anxiety,and depression were identified,and 157 drug disease intersection targets were identified through EVenn platform analysis.The top 10 targets include VEGFA,ALB,CASP3,Akt1,JUN,IL-6,IL-1β,PTGS2,MMP9,and EGF.GO analysis yielded a total of 2 214 en-tries,including 1 897 biological processes,117 cellular components,and 200 molecular functions.A total of 205 signal pathways were obtained by KEGG enrichment analysis,mainly involving lipid and atherosclerosis,PI3K-Akt signal pathway,NF-κB signal pathway,etc.Conclusion:The mechanism of modified Chaihu Guizhi Decoction in treating coronary heart disease with anxiety and depression may be related to the regulation of lipid and atheroscle-rosis,PI3K-Akt signaling pathway,NF-κB signal pathway and other related factors.
Coronary heart diseaseAnxiety and depressionModified Chaihu Guizhi DecoctionNetwork phar-macologyMolecular docking
NETL
NSTL
万方数据
