医学信息2025，Vol.38Issue(22)：45-51,7.DOI:10.3969/j.issn.1006-1959.2025.22.007
基于网络药理学和分子对接探究猫爪草治疗HER2阳性乳腺癌的作用机制
Mechanism of Catclaw Buttercup Root in the Treatment of HER2-positive Breast Cancer Based on Network Pharmacology and Molecular Docking
摘要
Abstract
Objective To explore the potential mechanism of catclaw buttercup root in the treatment of human epidermal growth factor receptor 2(HER2)-positive breast cancer by network pharmacology and molecular docking.Methods Through TCMSP retrieval,the active ingredients of catclaw buttercup root were screened,and then the corresponding targets of the ingredients were obtained by SwissTargetPrediction.Cytoscape 3.10.0 software was used to construct a "drug-component-target" network to analyze and obtain the main active components of catclaw buttercup root.The related targets of HER2 positive breast cancer were obtained through GeneCards,OMIM and disgenet databases.The intersection targets of catclaw buttercup root and HER2-positive breast cancer were imported into the STRING database for protein-protein interactions(PPI)network analysis to screen network hub targets.At the same time,the GO function and KEGG pathway enrichment analysis of the intersection targets were performed using the micro-bioinformatics platform.PyRx and yMOL software were used for molecular docking of hub targets and main components.Results A total of 90 active components were screened from catclaw buttercup root,among which Truflex OBP,Mandenol,Sitosteryl acetate,7-O-Methyl eriodictyol and vittadinosid-qt were the main active components.Among the 359 targets corresponding to the components,92 targets intersected with disease-related targets,among which CCND1,MDM2,EGFR,HSP90AA1,HSP90AB1,SRC,BCL2,TNF,ESR1,HIF1A were hub targets.The potential targets are mainly enriched in immune system,endocrine system,cell process,tumor metabolism and other related signaling pathways.Conclusion Catclaw buttercup root may play an anti-tumor role by regulating HER2-positive breast cancer-related disease signaling pathways(including tumors,endocrine diseases,immune diseases,etc.)and biological pathways such as metabolism and cellular processes through various active ingredients(Truflex OBP,Mandenol,Sitosteryl acetate,7-O-Methyl eriodictyol and vittadinosid-qt).关键词
猫爪草/HER2阳性乳腺癌/网络药理学/分子对接/代谢/免疫/肿瘤Key words
Catclaw buttercup root/HER2-positive breast cancer/Network pharmacology/Molecular docking/Metabolism/Immunity/Tumor分类
医药卫生引用本文复制引用
李本发,陈婉怡,杨林秀,黄敏..基于网络药理学和分子对接探究猫爪草治疗HER2阳性乳腺癌的作用机制[J].医学信息,2025,38(22):45-51,7.基金项目
云南省科技厅中医药基础研究联合专项青年项目(编号:202101AH070171) （编号:202101AH070171）
