Research on the Mechanism of Xiaoyao Pill in Treating Hyperplasia of Mammary Gland was Explored Based on Network Pharmacology and Molecular Docking Technology

Abstract

The objective of this research is to study the mechanism of Xiaoyao pill in the treatment of breast hyperplasia by using network pharmacological formula. The active components of Xiaoyao pill were collected and screened in the Pharmacological Database and Analysis Platform of Chinese Medicine (TCMSP), and the included compounds were predicted by TCMSP database. GeneCards database, NCBI gene database and OMIM database were used for screening of breast hyperplasia disease targets. The drug targets and disease targets were selected to make a Venn diagram, and the common targets were used to make a PPI network diagram in the String database. Topological analysis and MCODE cluster analysis were used to screen the core targets and core genes. The key active ingredients were screened in Cytoscape 3.8.0 software. The STRING database was used for GO analysis and KEGG analysis for key targets, and the relevant results were imported into Cytoscape 3.8.0 to draw the component-disease-path path-target network diagram. The active components and targets of Xiaoyao Pills were screened, among which 169 targets were related to breast hyperplasia. Stat3, Akt1, MAPK1, Jun, MAPK3 and other 20 targets were the key targets of this drug in the treatment of breast hyperplasia, and HTR2A, IL2, TOP2A, PCNA, MMP1 were the core genes of this drug in the treatment of breast hyperplasia. Quercetin, Kaempferol, luteolin, naringenin, licochalcone A, 7-methoxy-2-methyl isoflavone, formononetin, and acacetin may be the main active components of Xiaoyao Pill in the treatment of breast hypertrophy. A total of 2328 biological processes were enriched by GO enrichment analysis, with 160 molecular function correlations and 47 cell composition correlations. Enrichment analysis showed that it was associated with 166 pathways, including AGE-RAGE signaling pathway, TNF signaling pathway, IL-17 signaling pathway, Th17 cell differentiation, fluid shear stress and atherosclerosis signaling pathway. The molecular docking verification results showed that the key active ingredients and core targets were well docking. From the perspective of network pharmacology, the potential mechanism and pharmacological substance basis of Xiaoyao pill in the treatment of breast hyperplasia are preliminarily revealed, providing ideas for the follow-up research on Xiaoyao pill in the treatment of gynecological diseases.

Keywords

• network pharmacology
• xiaoyao pill
• breast hyperplasia
• the key targets
• molecular docking