Network pharmacology and molecular docking analysis on the mechanism of Baihe Zhimu decoction in the treatment of postpartum depression

Abstract

Baihe Zhimu decoction (BZD) has significant antidepressant properties and is widely used to treat mental diseases. However, the multitarget mechanism of BZD in postpartum depression (PPD) remains to be elucidated. Therefore, the aim of this study was to explore the molecular mechanisms of BDZ in treating PPD using network pharmacology and molecular docking. Active components and their target proteins were screened from the traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). The PPD-related targets were obtained from the OMIM, CTD, and GeneCards databases. After overlap, the targets of BZD against PPD were collected. Protein-protein interaction (PPI) network and core target analyses were conducted using the STRING network platform and Cytoscape software. Moreover, molecular docking methods were used to confirm the high affinity between BZD and targets. Finally, the DAVID online tool was used to perform gene ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis of overlapping targets. The TCMSP database showed that BZD contained 23 active ingredients in PPD. KEGG analysis showed that overlapping genes were mainly enriched in HIF-1, dopaminergic synapses, estrogen, and serotonergic synaptic signalling pathways. Combining the PPI network and KEGG enrichment analysis, we found that ESR1, MAOA, NR3C1, VEGFA, and mTOR were the key targets of PPD. In addition, molecular docking confirmed the high affinity between BZD and the PPD target. Verified by a network pharmacology approach based on data mining and molecular docking methods, the multi-target drug BZD may serve as a promising therapeutic candidate for PPD, but further in vivo/in vitro experiments are needed.Abbreviations: BZD = Baihe Zhimu decoction, DAVID = visualization and integrated discovery, DL = drug-likeness, GO = Gene Ontology, KEGG = Kyoto Encyclopedia of Genes and Genomes, OB = oral bioavailability, PPD = postpartum depression, PPI = protein-protein interaction, TCM = traditional Chinese medicine.

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“…Potential to elucidate the complexity between TCM, targets and diseases [ [67] , [68] , [69] ]. Based on the pharmacology database and the analysis platform of traditional Chinese medicine system, Zhao [ 70 ] screened the bioactive components and target genes of LBRAD. It contained 165 related components, 84 components from Lilium lancifolium bulb and 81 components from Anemarrhena asphodeloides rhizome.…”

Plantamajoside alleviates hypoxia-reoxygenation injury through integrin-linked kinase/c-Src/Akt and the mitochondrial apoptosis signaling pathways in H9c2 myocardial cells

“…nih. gov/) and the 3D structure of PMS was obtained by Chemdraw 19.1 and Chem3D 19.1 software [26]. To download the structure of the ILK which bound to PMS.…”