健康研究2024，Vol.44Issue(1)：62-69,封3,9.DOI:10.19890/j.cnki.issn1674-6449.2024.01.014
基于网络药理学与分子对接探讨参芪白石汤治疗胃癌的机制
Exploring the mechanism of Shenqi Baishi Decoction for gastric cancer based on network pharmacology and molecular docking
摘要
Abstract
Objective To investigate the mechanism of action of Shenqi Baishi Decoction(SBD)in the treatment of gastric cancer(GC)using network pharmacology methods,GEO database and molecular docking.Methods The active ingredients and their corresponding targets for SBD were obtained from the TCMSP database and Pubchem.Additional ingredients were included based on the Dictionary of Traditional Chinese Medicines.Differentially expressed genes for GC were identified from the GEO database using the GSE118916 probe microarray dataset.The PPI protein-protein interactions network was constructed using the STRING database.Finally,core targets were analyzed with the assistance of the Metascape database.Pathway enrichment analysis was conducted using GO and KEGG.Immunohistochemistry results for core genes and gene-protein expression were obtained from the THPA database.AutoDock molecular docking software was used to analyze the interactions between the main active ingredients and core targets.Results After screening for OB and DL,63 active ingredients were extracted from 9 herbs of SBD,corresponding to 930 potential targets.The GO and KEGG functional enrichment analyses revealed that SBD acted through 14 biological processes,including the regulation of smooth muscle cell proliferation,response to peptides,positive regulation of apoptotic processes,and regulation of vascular-associated smooth muscle cell proliferation.These processes involved the cancer pathway,tumor necrosis factor signaling pathway,lipids and atherosclerosis,and AGE-RAGE signaling pathway in the complication of diabetes.The immunohistochemistry of the core gene proteins revealed strong positive expression of ICAM1,PTGS2,and PPARG in GC tissues.Molecular docking validation demonstrated that 3-epi-oleanolic acid and quercetin docked well with the core targets.Conclusions Further in vivo and in vitro experiments are needed to determine if the multi-target drug SBD is a promising candidate for GC therapy.关键词
参芪白石汤/胃癌/GO富集分析/KEGG富集分析/网络药理学Key words
Shenqi Baishi Decoction/gastric cancer/GO enrichment analysis/KEGG enrichment analysis/network phar-macology分类
医药卫生引用本文复制引用
杨从影,唐莉华,孙龙华,罗江,黄学娣..基于网络药理学与分子对接探讨参芪白石汤治疗胃癌的机制[J].健康研究,2024,44(1):62-69,封3,9.基金项目
江西省卫生健康委科技计划(202211480) （202211480）
国家自然科学基金项目(81960523) （81960523）
