Exploring the Mechanism of Guanhuangmu Granules in Treating Menopausal Depression Based on Network Pharmacology and Molecular Docking Technology
Objective The objective of this study was to investigate the potential mechanism of action of guanhuangmu granules in the treatment of climacteric depression using network pharmacology and molecular docking techniques.Methods TCMSP,Swiss Target Prediction,Gene-Cards,and DisGeNET databases were utilized to identify active ingredients and disease targets.Core targets were selected through STRING database and Cytoscape software analysis,resulting in the construction of protein-protein interaction(PPI)network diagram and drug-active ingredient-target diagram.GO functional enrichment analysis was performed using DAVID database,followed by Genomic Encyclopedia(KEGG)pathway enrichment analysis.Molecular docking tests were conducted to validate the findings.Results A total of 857 targets corresponding to 70 active components present in guanhuangmu granules were identified.PPI network analysis revealed 51 core targets including tumor protein p53(TP53),proto-oncogene tyrosine protein kinase Src(SRC),protein kinase B1(Akt1),signaling and transcription-activating protein 3(STAT3),and epidermal growth factor receptor(EGFR).Additionally,a total of 234 GO entries related to drug treatment for climacteric depression were screened along with identification of 138 enriched pathways.Molecular docking demonstrated high affinity between core active components found in guanhuangmu granules and their respective core targets.Conclusion Through actions on core targets such as TP53,SRC,Akt1,STAT3,EGFR etc.,kaempferol,quercetin stigasterol β-sitosterol baicalein present in guanhuangmu granules may regulate endocrine resistance as well as estrogen signaling pathway TNF signaling pathway PI3K-Akt signaling pathway thereby synergistically contributing towards the treatment for menopausal depression.
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