融合数据挖掘与网络药理学研究治疗原发性肝癌中药处方用药规律
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R966

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国家自然科学基金项目(面上项目,重点项目,重大项目)


Study on the Medication Rules of Traditional Chinese Medicine Prescription against Primary Hepatic Carcinoma Based on Data Mining and Network Pharmacology
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    摘要:

    融合数据挖掘与网络药理学方法,研究治疗原发性肝癌常用有效中药处方的用药规律,为中医临床治疗原发性肝癌处方用药提供参考。通过收集大量的临床和文献中,治疗原发性肝癌的常用中药处方,共筛选有效处方211个;运用中医传承辅助平台,挖掘有效处方中的核心药物组合;再通过TCMSP等数据库平台,筛选核心药物组合活性成分所对应的靶点;并在MalaCards、CTD、TTD等疾病数据库中,检索出与原发性肝癌相关的疾病靶点;取上述两种靶点的共有靶点,即为核心药物组合治疗原发性肝癌的一般靶点,并利用DAVID平台对一般靶点进行GO/KEGG通路富集分析;通过Cytoscape 3.6.1软件对共同靶点进行拓扑分析,得到核心药物组合治疗原发性肝癌的核心靶点;并利用CB-Dock平台对其进行分子对接验证;通过与有关文献实验研究的结果进行比较,验证本研究结果的可靠性。通过数据挖掘和网络药理学分析,得到常用药对23组(支持度≥50),关联规则的药物组合24组(置信度≥0.95),聚类分析的药物组合36组;治疗原发性肝癌疾病的一般靶点124个、核心靶点16个;经GO分析的生物过程450个、细胞组分37个、分子功能48个(P≤0.01);经KEGG通路富集分析得到信号通路44个(P≤0.01),并且p53等信号通路得到了有关文献实验研究结果的验证;而且还发现茯苓、白术、党参、半枝莲等药物在治疗原发性肝癌的处方中出现的频次较高。中医治疗原发性肝癌常以补虚、清热为主,兼顾活血、理气等,多从肝、脾、肺和肾等经络共同论治,并注重清补结合、虚实兼顾;核心药物组合主要通过诱导凋亡、阻滞周期、抗血管生成和调控炎症等途径治疗原发性肝癌。

    Abstract:

    Study the medication rules of TCM(traditional Chinese medicine) prescriptions for the treatment of primary hepatic carcinoma based on data mining and network pharmacology to provide a reference for the TCM prescriptions compatibility against primary hepatic carcinoma in clinical diagnosis and treatment. 211 effective TCM prescriptions against primary hepatic carcinoma were collected and screened from clinical and related literatures,and the traditional Chinese medicine assistant platform was used to perform data mining analysis on the key drug combinations in the obtained prescriptions.Select the targets of active ingredients of key drug combinations from TCMSP and other databases.Search for targets related to primary hepatic carcinoma in disease databases such as MalaCards,CTD,TTD.Select their common targets,which are the general targets of key drug combinations against primary hepatic carcinoma.GO/KEGG pathways enrichment analysis of general targets can be obtained by using DAVID platform.Key targets can be obtained by topology analyzing with Cytoscape 3.6.1 software and can be verified by molecular docking by CB-Dock Web Site.The reliability of the results of this study is verified by comparing with the experimental results of related literatures. Through data mining and network pharmacology,23 groups commonly used drugs (support≥50),24 groups strongly related drugs (confidence≥0.95)and 36 groups clustering drug combinations were obtained;124 general targets and 16 key targets against of primary hepatic carcinoma were obtained;450 biological processes,37 cellular components,48 molecular functions and 44 KEGG signaling pathways were obtained (P≤0.01),and the p53 signal pathway have been verified by the experimental results in the relevant literatures;It was also found that Poria,Atractylodis Macrocephalae Rhizoma,Codonopsis Radix,Scutellariae Barbatae Herba and other drugs appeared more frequently in prescriptions for the treatment of primary hepatic carcinoma. In the clinical treatment of primary hepatic carcinoma,traditional Chinese medicine usually focuses on tonifying deficiency and clearing away heat,giving attention to promoting blood circulation and regulating qi.It mainly treats the meridians and collaterals of liver,spleen,lung and kidney,paying attention to the combination of clearing and tonifying,and giving attention to both deficiency and reality;Key drug combinations mainly treat primary hepatic carcinoma by inducing cell apoptosis,blocking the cell cycle,anti-angiogenesis and regulating inflammation.

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潘树茂,章新友,张玉娇,等. 融合数据挖掘与网络药理学研究治疗原发性肝癌中药处方用药规律[J]. 科学技术与工程, 2021, 21(13): 5275-5286.
Pan Shumao, Zhang Xinyou, Zhang Yujiao, et al. Study on the Medication Rules of Traditional Chinese Medicine Prescription against Primary Hepatic Carcinoma Based on Data Mining and Network Pharmacology[J]. Science Technology and Engineering,2021,21(13):5275-5286.

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  • 收稿日期:2020-07-31
  • 最后修改日期:2021-02-22
  • 录用日期:2021-01-09
  • 在线发布日期: 2021-05-28
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