摘要
目的:通过网络药理学及分子对接技术预测沙棘治疗癌症的作用机制。方法:利用TCMSP、Unipro数据库收集有效成分及其作用靶标,Venny 2.1寻找交集靶点,通过Gene Cards及OMIM数据库收集和筛选选疾病靶点,STRING v11.0数据库进行PPI网络分析,PDB及Pub Chem进行蛋白质结构及小分子结构确认,通过Cytoscape(Version 3.7.1)软件网络图构建沙棘治疗癌症关联网络。结果:共筛选沙棘22个活性成分节点,100个靶基因节点,沙棘治疗癌症的潜在机制可能是由槲皮素、山奈酚、β-胡萝卜素、异鼠李素等多个成分作用于TP53、AKT1、MYC、CASP3、VEGFA等关键靶标,对接结果良好。结论:沙棘可能通过多成分、多靶点、多通路的共同作用来发挥其治疗癌症的作用。
Objective:The mechanism of seabuckthorn in the treatment of cancer was predicted by network pharmacology and molecular docking techniques.Methods:Tcmsp and UNIPRO databases were used to collect the active ingredients and their action targets,Venny2.1 was used to find the intersection targets,genecards and OMIM databases were used to collect and screen the disease targets,string v11.0 database was used to analyze the PPI network,PDB and Pub Chem were used to confirm the protein structure and subunit structure,and the sea buckthorn cancer treatment association network was constructed through the network diagram of Cytoscape(version 3.7.1)software.Results:A total of 22 active component nodes and 100 target gene nodes of seabuckthorn were screened.The potential mechanism of seabuckthorn for cancer treatment may be caused by quercetin,kaempferolβ-Carotene,isorhamnetin and other components act on key targets such as TP53,AKT1,Myc,CASP3 and VEGFA,and the docking results are good.Conclusion:This chapter discusses the mechanism of seabuckthorn in the treatment of cancer,reveals that Seabuckthorn may play its role in the treatment of cancer through the joint action of multi-component,multi-target and multi-channel,and reveals that Seabuckthorn has the characteristics of multi-component,multi-target and multi-channel in the treatment of cancer.
作者
赵磊
廖苑君
高嵩
姜海英
姜大成
马彧
昝珂
ZHAO Lei;LIAO Yuan-jun;GAO Song;JIANG Hai-ying;JIANG Da-cheng;MA Yu;ZAN Ke(Changchun University of traditional Chinese MedicineSchool of Medicine,Jilin Changchun 130117,China;Siping Institute food and Drug Control,Jilin Siping 136000,China;Chemistry of Jilin Normal University College,Siping 136000,China;Huaide No.1 Middle School of Gongzhuling City,Jilin Gongzhuling 136121,China;National Institutes for Food and Drug Control,Beijing 10050,China)
出处
《中国药物评价》
2022年第5期406-413,共8页
Chinese Journal of Drug Evaluation
基金
吉林省中药材标准,项目名称:新鲜沙棘果(JLYC-2021-024)。
关键词
沙棘
网络药理学
通路
分子对接
癌症
Seabuckthorn
Network pharmacology
Pathway
Molecular docking
Cancer
