摘要
目的:利用网络药理学和分子对接技术对四鲜汤治疗急性白血病(AcuteLeukemia,AL)的作用机制进行研究。方法:通过中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)、中药分子机制生物信息学分析工具(Bioinformatics Analysis Tool for Molecular Mechanism of Traditional Chinese Medicine,BATMAN—TCM)和中医药百科全书数据库(Encyclopedia of Traditional Chinese Medicine,ETCM)检索并获取鲜药复方四鲜汤组方中药(生地、白茅根、小蓟、蒲公英)的化学成分,建立鲜药复方-四鲜汤的天然药物活性化学成分数据集;检索人类基因数据库(Human Gene Data Base,Gencards)、人类疾病相关基因和变异的信息的数据库(Database of Gene-Disease Associations,DisGeNET)、在线生物信息学和化学信息学数据库(Database for Drug and Drug Target Info,DrugBank)、人类疾病数据库(Human Disease Database,MalaCards)以获得AL疾病相关靶点,建立疾病靶点数据库。获取药物以及疾病的交集靶点后,在线画出两者共同靶点venn图;利用String11.5平台构建药物疾病蛋白互作网络;利用cytoscape3.8.2软件构建“药物—疾病—靶点—信号通路”网络,获取相关靶点网络拓扑参数。结果:经TcMSp\BAT-MAN—TcM和ETcM三个数据库检索,获得四鲜汤活性成分30个,相关靶点677个;通过Gencards、DrugBank、MalaCards和DisGeNET四个数据库获得12110个AL疾病潜在靶点;通过R4.2.2平台的ClusterProfiler软件包获得生物功能富集(Gene Ontology,GO)信息条目1011条,其中生物过程(Biological Process,BP)467条,分子功能(Molecular Function,MF)236条,细胞组分(Cellular Component,CC)308条;获得富集的京都基因与基因组百科全书(Kyoto Encyclopedia of Genesand Genomes,KEGG)信号通路220条,主要涉及化学致癌受体激活、脂质与动脉粥样硬化、流体剪切力与动脉粥样硬化、前列腺癌、AGE-RAGE信号通路在糖尿病并�
Objective Our objective was to investigate the mechanism of action of the Si Xian Decoction(SXD)in treating acute leukemia(AL)using network pharmacology and molecular docking techniques.Methods The chemical components of the four medicinal herbs of Shengdi(Rehmanniae Radix),Baimaogen(Imperatae Rhizoma),Xiaoji(Cirsii Herba),and Pugongying(Taraxaci Herba)in the SXD were obtained from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP),Bioinformatics Analysis Tool for Molecular mechANism of Traditional Chinese Medicine(BATMAN-TCM),and Encyclopedia of Traditional Chinese Medicine(ETCM).A natural active chemical component dataset for the SXD was established.Human Gene Database(Gencards),Database of Gene-Disease Associations(DisGeNET),Database for Drug and Drug Target Information(DrugBank),and Human Disease Database(MalaCards)were searched to obtain AL-related targets and to establish a disease target database.After obtaining the intersection targets of drugs and diseases,a Venn diagram of the common targets was drawn online.A drug-disease protein interaction network was constructed using the String 11.5 platform,and a“drug-disease-target-signal pathway”network was built using Cytoscape 3.8.2 software to obtain relevant target network topology parameters.Results By searching the TCMSP,BATMAN-TCM,and ETCM databases,30 active components of the SXD and 677 related targets were obtained.From Gencards,DrugBank,MalaCards,and DisGeNET databases,12,110 potential AL disease targets were obtained.Using the ClusterProfiler package of the R4.2.2 platform,1,011 entries of gene ontology information were enriched,including 467 biological process entries,236 molecular function entries,and 308 cellular component entries.Additionally,220 enriched Kyoto Encyclopedia of Genes and Genomes(KEGG)signaling pathways were obtained,mainly involving chemical carcinogen receptor activation,lipid and athero-sclerosis,fluid shear stress and atherosclerosis,prostate cancer,and the role of the advanced glyca
作者
姜紫含
张曼
郭家缘
刘洺欣
刘文卿
郭珏
马秋玲
Zihan Jiang;Man Zhang;Jiayuan Guo;Mingxin Liu;Wenqing Liu;Jue Guo;Qiuling Ma(The Second Clinical Medical School,Henan University of Chinese Medicine,Zhengzhou,Henan,China;Institute of Hematology,Henan Province Hospital of TCM(The Second Affiliated Hospital of Henan University of Chinese Medicine),Zhengzhou,Henan,China)
基金
河南省中医药科学研究专项重点课题项目(2021ZY1050,2024ZY1010)。
关键词
急性白血病
四鲜汤
鲜药
网络药理学
作用机制
acute leukemia
Si Xian decoction
fresh herbs
network pharmacology
action mechanism
