Exploring the antidepressant mechanism of Codonopsis pilosula through network pharmacology and molecular docking...

To investigate the antidepressant properties and underlying mechanisms of Codonopsis pilosula using network pharmacology and molecular docking analysis.

The principal constituents of Codonopsis pilosula were identified from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Genecards and the Online Mendelian Inheritance in Man (OMIM) were utilized to gather genes associated with depression. Subsequently, Cytoscape software and the STRING database were employed to construct a components-targets network and protein interaction network models for Codonopsis pilosula. The DAVID database was applied for Gene Ontology (GO) analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis of the targets, while Autodock software was utilized for molecular docking of the primary active compounds of Codonopsis pilosula with its key targets.

This study identified 18 primary components in Codonopsis pilosula, which have the potential to modulate numerous targets and impact 57 signaling pathways. Integration of prior research findings and molecular docking validation demonstrated that lobetyolin - a key constituent of Codonopsis pilosula - exhibits strong binding affinity with the hub target proteins, including Tumor Protein P53 (TP53), Heat Shock Protein 90 Alpha Family Class A Member 1 (HSP90AA1), and Jun Proto-Oncogene (JUN).

The findings suggest that Codonopsis pilosula may elicit antidepressant effects through a multi-component, multi-target, and multi-pathway approach, laying a foundation for further exploration and clinical utilization of Codonopsis pilosula in the prevention and treatment of depression.