摘要
目的基于网络药理学方法分析参苓白术散治疗肿瘤恶病质的药理机制,为经典方剂临床拓展运用提供参考。方法通过TCMSP和BATMAN-TCM数据库获取参苓白术散处方中药的主要化学成分及其靶点,根据ADME筛选中药活性组分;通过OMIM、Genecards、Disgenet、DRUGBANK数据库获取肿瘤恶病质主要靶点,利用String平台进行蛋白质相互作用分析,构建PPI网络。采用Cytoscape3.7.2软件构建参苓白术散“药物-活性成分-靶点”网络,而后采用Metascape平台分析其参与的生物过程及通路,最后通过Discovery Studio进行分子对接验证。结果参苓白术散治疗肿瘤恶病质的核心活性成分为槲皮素、山柰酚、木蜡酸、豆甾醇、木犀草素、β谷甾醇等,核心靶点有AKT1、TP53、TNF、IL-6、MAPK3、CASP3、JUN、CTNNB1、HIF1A、EGFR等,分子对接验证亦显示,排名前10的活性成分中,木蜡酸、豆甾醇、β谷甾醇与靶点大部分的结合活性较好。参苓白术散治疗肿瘤恶病质生物学通路主要是调节肿瘤相关通路、代谢相关通路及炎症因子和食欲相关通路等方面。结论初步揭示了参苓白术散治疗肿瘤恶病质的多成分、多靶点、多通路的作用机制,为参苓白术散的临床开发利用提供理论基础。
Objective To analyze the pharmacological mechanism of Shenling Baizhu powder in the treatment of cancer cachexia based on the network pharmacological method and provide a reference for the clinical application of classical traditional Chinese medicine(TCM)prescriptions.Methods Through TCMSP and BATMAN-TCM databases,the main chemical components and their targets of the TCM prescription of Shenling Baizhu powder were obtained,and the active components of the TCM were screened according to ADME.The main targets of cancer cachexia were obtained through OMIM,Genecards,Disgenet and DRUGBANK databases,and protein interaction analysis was conducted using String platform to build a PPI network.The“drug-active ingredient-target”network of Shenling Baizhu powder was constructed by Cytoscape 3.7.2 software,and then the biological processes and pathways involved were analyzed by using Metascape platform.Finally,molecular docking verification was conducted by Discovery Studio.Results The core active ingredients of Shenling Baizhu powder in the treatment of cancer cachexia were quercetin,kaempferol,pyrolignous acid,stigmasterol,luteolin,β-sitosterol,etc.The core targets were AKT1,TP53,TNF,IL-6,MAPK3,CASP3,JUN,CTNNB1,HIF1A,EGFR,etc.The molecular docking test also showed that the top 10 active ingredients,such as pyrolignous acid,stigmasterol andβ-sitosterol,had good binding activities with most of the target sites.The biological pathway of Shenling Baizhu powder in treating cancer cachexia wss mainly to regulate tumor related pathway,metabolism related pathway,inflammatory factors and appetite related pathway.Conclusion This study preliminarily revealed the mechanism of action of Shenling Baizhu powder in treating cancer cachexia with multi components,multi targets and multi pathways,which provided a basis for the clinical development and utilization of Shenling Baizhu powder.
作者
柯刚
董清科
肖世容
龚茜
李荣
汪代杰
KE Gang;DONG Qingke;XIAO Shirong;GONG Qian;LI Rong;WANG Daijie(Luzhou People’s Hospital,Luzhou 646000,China)
出处
《药学实践与服务》
2025年第5期242-250,共9页
Journal of Pharmaceutical Practice and Service
基金
泸州市科技计划资助(编号:2022-SYF-65)
泸州市卫生健康委科研项目。
关键词
参苓白术散
网络药理学
肿瘤恶病质
分子对接
Shenling Baizhu powder
network pharmacology
cancer cachexia
molecular docking
作者简介
柯刚,硕士,主管药师,研究方向:临床中药学,Email:464723234@qq.com。
