Analysis of the potential mechanism of Shenqi Yimu Ointment in treating abnormal uterine bleeding based on network pharmacology and molecular docking technology

Liu Dongjing; Yin Baoying; He Ya; Fu Haixia; Wang Xingling; Wang Yunwei

doi:10.11986/j.issn.1673-873X.2025.07.16

Abstract：Objective To investigate the mechanism of Shenqi Yimu Ointment in treating abnormal uterine bleeding(AUB)based on network pharmacology and validate it through molecular docking.Methods Active components and targets of Shenqi Yimu Ointment were collected from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),HERB,and UniProt databases,while AUB-related targets were obtained from GeneCards and Online Mendelian Inheritance in Man(OMIM)data-bases.A Venn diagram of intersecting targets was constructed using the Gene Denovo Biology online platform,and a"drug-active com-ponent-intersecting target"network was established using Cytoscape software.A protein-protein interaction(PPI)network was con-structed in STRING,and Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analyses were performed using the Microbioinformatics online platform.Molecular docking was conducted using AutoDock Vina software and visual-ized with PyMol.Results Preliminary screening identified 244 active components in Shenqi Yimu Ointment and 314 intersecting tar-gets,involving 1,289 biological processes(BP),153 cellular components(CC),and 259 molecular functions(MF).Shenqi Yimu Ointment may treat AUB through cancer signaling pathways,the AGE-RAGE signaling pathway,the PI3K-AKT signaling pathway,the MAPK signaling pathway,etc.Molecular docking showed good binding affinity between key active components(quercetin,schisandrin B,orchinol,erianin,and chrysotoxene)and core target proteins(TP53,SRC,PIK3CA,PIK3R1,AKT1).Conclusion Shenqi Yimu Ointment exhibits multi-component,multi-target,and multi-pathway advantages,primarily mediating cell proliferation and apoptosis,inflammatory response,oxidative stress response,and hormonal regulation to treat AUB.This conclusion provides the-oretical support for clinical application,though further experimental validation is warranted.