苏州科技大学学报（自然科学版）2026，Vol.43Issue(3)：55-60,6.DOI:10.12084/j.issn.2096-3289.2026.03.006
齐墩果酸抑制三阴性乳腺癌的网络药理和分子对接分析
Network pharmacology and molecular docking analysis of oleanolic acid inhibiting triple-negative breast cancer
摘要
Abstract
This study systematically explored the potential targets and molecular mechanism of oleanolic acid(OA)against triple-negative breast cancer(TNBC)via network pharmacology and molecular docking.Potential target pro-teins of OA were predicted using the PharmMapper database,and key pathogenic genes of TNBC were obtained from the DisGeNet database.A total of 29 intersecting genes were identified by Venn analysis.Gene Ontology(GO)func-tional enrichment and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway analyses were performed via the DAVID platform,and a protein-protein interaction(PPI)network was constructed and core targets were screened us-ing the STRING database.Finally,molecular docking verification was carried out with AutoDock and PyMOL.The results showed that the identified targets were significantly enriched in multiple tumor-related pathways,including ERK1/2 cascade,Ras,and PI3K-Akt signaling pathways,among which MAP2K1 was the core target gene.Molecu-lar docking indicated that OA exhibited the strongest binding affinity with MAP2K1 among all candidate targets,the binding energy is-8.25 kcal/mol.In conclusion,oleanolic acid may exert an anti-TNBC effect by targeting MAP2K1 to regulate the Ras/PI3K-Akt signaling pathway,providing a preliminary theoretical basis for subsequent experimental research and clinical translational application.关键词
齐墩果酸/三阴性乳腺癌/网络药理学/分子对接/作用机制Key words
oleanolic acid/triple-negative breast cancer/network pharmacology/molecular docking/mechanism of action分类
医药卫生引用本文复制引用
郭伟强,钱敏,尤书会,江佳佳,沈家明,胡翠英..齐墩果酸抑制三阴性乳腺癌的网络药理和分子对接分析[J].苏州科技大学学报（自然科学版）,2026,43(3):55-60,6.基金项目
苏州市民生科技项目(SS202086 （）
SKJY2021032) （）
