摘要
Abstract
To explore the mechanism of action of Ruxiankang injection in the treatment of breast cancer(BC)using network pharmacology and molecular docking techniques.Obtain the activecompounds and their targets in Ruxiankang injection,and search for the targets related to breast cancer.After taking the intersection of the two,using Cytoscape 3.9.0 software to construct a"drug-compound-common target"network.The common targets were entered into the String database to construct a protein-protein interaction(PPI)network.The same target genes were then entered into the DAVID database for gene ontology(GO)enrichment analysis and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis.The active compoundsnodes and targets were sorted according to their appropriate parameters,and finally the proteins and core components encoded by the screened target genes were molecularly docked using PyMol.A total of 106 potential active compounds and 891 action targets were screened,1341 breast cancer disease-related targets,and 236 drug-disease intersection targets.PPI network and topology analysis showed that TP53,EGFR,VEGFA,ESR1,HRAS,STAT3,CCND1,SRC,etc.were the core targets of Ruxiankang injection in the treatment of BC.GO functional enrichment analysis showed that they were mainly involved in enzyme regulation,RNA transcription and other biological processes.KEGG pathway enrichment analysis yielded 20 pathways with the highest relevance,such as cancer signaling pathway,PIK3/AKT,Hepatitis B,and so on.Docking the core target encoded proteins to the active compounds yielded favorable results.The network pharmacological exploration and molecular docking validation showed that Ruxiankang injection may play a role in interfering with breast cancer formation and treating the disease through multi-targets and multi-signaling pathways.关键词
乳腺康注射液/乳腺癌/网络药理学/分子对接/作用机制/TP53Key words
Ruxiankang injection/breast cancer/network pharmacology/molecular docking/mechanism of action/TP53分类
医药卫生
