Exploring the Mechanism of Action of Ru-Pi-Xiao on Treating Mammary Gland Hyperplasia Based on Network Pharmacology and Molecular Docking Technology

Mengjun Pan, Nini Jia, Zhengguang Li, Qiang Zhang, Li Sun and Xiaoqin Chu

Background and Objective: Ru-Pi-Xiao is a classic Chinese medicine prescription, which has a remarkable effect in treating mammary gland hyperplasia. However, the primary constituents and underlying mechanisms of Ru-Pi-Xiao have yet to be fully elucidated. This study aims to provide an initial exploration of the potential mechanisms by which Ru-Pi-Xiao exerts its therapeutic effects on MGH through the application of network pharmacology and molecular docking techniques. Materials and Methods: Relevant targets of active ingredients and diseases were carried out through TCMSP, Gene Cards, DisGeNET and NCBI databases. Drug targets and disease targets were taken to make Venn diagrams, PPI network diagrams were made in the STRING database with shared targets, Core targets and compound drug-active ingredient-target network diagrams were drawn through Cytoscape software. The Metascape platform was used for GO enrichment analysis and KEGG analysis. Molecular docking was performed with AutoDockTools. Results: About 110 active ingredients and 147 intersecting genes were screened. The main biological processes were response to peptide, enzyme-linked receptor protein signaling pathway, protein phosphorylation, gland development and positive regulation of transferase activity. “Proteoglycans in cancer”, “JAK-STAT signaling pathway”, “Calcium signaling pathway” and other pathways were involved in the treatment. The core targets were “TP53”, “SRC”, “STAT3”, “AKT1”, “PIK3CA” and so on. Molecular docking revealed good binding ability between the active compounds and screened targets. Among them, Quercetin has good binding activity with TP53 and AKT1 and 6-Hydroxykaempferol has good binding activity with SRC and PIK3CA. Conclusion: The Ru-Pi-Xiao may exert its therapeutic effects on MGH through multi-components, multi-targets and multi-pathways.

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