Components in Prunus mume and their targets in the alleviation of severe depression identified using network pharmacology analysis.

Abstract

Background: Prunus mume (PM), a traditional Chinese medicinal herb, is well known for relieving depression.

Study design: To elucidate its potential therapeutic benefits for major depressive disorder (MDD), further research is required to investigate its underlying mechanisms.

Materials and methods: Using UPLC-QE-MS and the Traditional Chinese Medicine Systems Pharmacology Database (TCMSP), we analyzed PM's ingredients and targets. The Gene Expression Omnibus (GEO) database identified MDD-related targets. Enrichment analysis identified key components for MDD treatment, refined via protein-protein interaction (PPI) networks and machine learning. Molecular docking with AutoDock software assessed binding affinity.

Results: We identified 35 PM components and 691 targets. Bioinformatics revealed 1,105 differentially expressed genes in MDD. Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses showed significant enrichment in protease binding, protein tyrosine kinase activity, and pathways like mTOR, Ras, and VEGF. PPI networks and machine learning identified five hub genes - SELP, MMP8, HK2, ATP1A1, and DAO - as therapeutic targets. Molecular docking analysis showed that PM ingredients - Quercetin, Luteolin, Tamarixetin, Isorhamnetin, 8-Hydroxykaempferol, Morin - bind effectively to key targets.

Conclusion: This study elucidates active components and potential mechanisms for treating MDD with PM, providing insights for future therapeutic targets and drug development.