基于网络药理学和分子对接技术研究复方苦参注射液对子宫内膜癌的作用机制OA

Objective To investigate the mechanism of action of Compound Kushen Injection(CKI)against endometrial carcinoma(EC)using network pharmacology and molecular docking approaches.Methods A systematic pharmacology strat-egy was adopted.Chemical constituents of CKI were retrieved from the TCMSP database,structurally verified via PubChem,and their potential targets were predicted using the SwissTargetPrediction platform.EC-related genes were collected from GeneCards and OMIM databases,and gene symbols were standardized via UniProt.A"drug-component-disease-target"network was constructed using Cytoscape 3.8.0,and a protein-protein interaction(PPI)network was built with the STRING database.Gene Ontology(GO)functional annotation and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway en-richment analysis were performed using the R language Bioconductor toolkit,and a biological function-signaling pathway association map was established.Molecular docking of core active components with key target proteins was carried out us-ing AutoDock/Vina,and binding modes were visualized.Results A total of 40 active components and 602 corresponding targets of CKI were obtained,along with 1,805 EC-related targets,yielding 201 overlapping targets.The top 10 hub targets in the PPI network were AKT1,HIF1A,ESR1,IL6,CASP3,EGFR,BCL2,MYC,CCND1,and MMP9.GO enrichment anal-ysis identified 479 biological process terms,127 molecular function terms,and 63 cellular component terms.KEGG analy-sis revealed 129 significantly enriched pathways,mainly involving cancer pathways,proteoglycan signaling,chemical carci-nogenesis-receptor activation,endocrine regulation,and the PI3K/AKT signaling pathway.Molecular docking demonstrat-ed stable binding conformations between key targets and active components.The core active components of CKI against EC mainly included diosgenin,matrine,luteolin,and quercetin.Conclusion CKI may exert therapeutic effects on EC through a multi-component,multi-target,and multi-pathway mechanism.Its core active constituents,such as diosgenin and matrine,possibly act by modulating key targets including AKT1,EGFR,HIF1A,and BCL2,thereby influencing EGFR,BCL2,and HIF1A signaling pathways and ultimately inducing apoptosis,anti-inflammatory responses,and regulation of cell prolifera-tion and differentiation.These findings confirm the pharmacological potential of CKI as an anti-EC agent and provide new perspectives for further exploration of its therapeutic mechanisms.