医学信息学杂志2024,Vol.45Issue(12) :37-44.DOI:10.3969/j.issn.1673-6036.2024.12.006

基于数据挖掘和网络药理学探析肝癌的用药规律及作用机制

Exploration of Medication Rules and Mechanism of Liver Cancer Based on Data Mining and Network Pharmacology

洪天琪 杨笑亚 张慧燕 葛凯莉 薛洋洋 魏春山
医学信息学杂志2024,Vol.45Issue(12) :37-44.DOI:10.3969/j.issn.1673-6036.2024.12.006

基于数据挖掘和网络药理学探析肝癌的用药规律及作用机制

Exploration of Medication Rules and Mechanism of Liver Cancer Based on Data Mining and Network Pharmacology

洪天琪 1杨笑亚 1张慧燕 1葛凯莉 1薛洋洋 1魏春山2
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作者信息

  • 1. 广州中医药大学第四临床医学院 深圳 518033
  • 2. 广州中医药大学第四临床医学院 深圳 518033;深圳市中医院 深圳 518033
  • 折叠

摘要

目的/意义通过数据挖掘技术和网络药理学方法探析中药复方专利治疗肝癌的用药规律及其核心对药的作用机制.方法/过程 建立肝癌复方专利数据库,采用Excel、SPSS Modeler、Cytoscape、Origin、RStudio进行频数、功效、性味归经、聚类及关联规则分析,挖掘用药规律和核心对药.利用TCMSP、OMIM、GeneCards等数据库收集药物有效活性成分、作用靶点及肝癌相关疾病靶点,通过STRING数据库收集交集靶点、关键靶点和蛋白质互作网络,运用微生信平台和分子对接技术,对有效活性成分与关键基因的结合性能进行富集分析及预测.结果/结论中药复方专利治疗肝癌用药重在肝脾并调以扶其正,同时辅以解毒抑癌、活血化瘀的策略以消除病邪.黄芪、半枝莲可通过多成分、多靶点、多途径的综合作用机制治疗肝癌.

Abstract

Purpose/Significance Data mining technology and network pharmacology method are used to analyze medication rules of traditional Chinese medicine(TCM)compound patents in the treatment of liver cancer and action mechanism of its core drug pairs.Method/Process The liver cancer compound patents database is established.Excel,SPSS Modeler,Cytoscape,Origin and RStudio are used to analyze the frequency,efficacy,taste,clustering and association rules,and to discover medication rules and core drug pairs.TC-MSP,OMIM,GeneCards and other databases are used to collect drug active ingredients,action targets and liver cancer-related disease targets.The intersection targets,key targets and protein interaction networks are collected through STRING database,and the binding properties of effective active ingredients and key genes are enriched and predicted by using the micro-bio-informatics platform and mo-lecular docking technology.Result/Conclusion TCM compound patents for the treatment of liver cancer focus on the simultaneous regula-tion of the liver and spleen,detoxification and inhibition of cancer,blood circulation and blood stasis.Astragalus and scutellaria barbata may treat liver cancer through multi-component,multi-target,and multi-pathway.

关键词

肝癌/数据挖掘/黄芪/半枝莲/网络药理学/分子对接

Key words

liver cancer/data mining/astragalus/scutellaria barbata/network pharmacology/molecular docking

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出版年

2024
医学信息学杂志
中国医学科学院

医学信息学杂志

CSTPCD
影响因子:1.348
ISSN:1673-6036
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