天然产物研究与开发 ›› 2021, Vol. 33 ›› Issue (10): 1769-1782.doi: 10.16333/j.1001-6880.2021.10.018

• 数据研究 • 上一篇    下一篇

基于数据挖掘及网络药理研究古方治疗强直性脊柱炎的用药规律及相关药理分析

姜平1,2,魏凯1,2,金晔华1,2,张润润1,2,常岑1,2,许林帅1,2,何东仪1,2*   

  1. 1上海中医药大学,上海 201203;2上海中医药大学附属光华医院,上海 200052
  • 出版日期:2021-10-28 发布日期:2021-10-28
  • 基金资助:
    国家自然科学基金(81774114);上海市卫生和计划生育委员会科研课题(201640192);上海市中西医临床协作试点项目(ZY(2018-2020)FWTX-1010)

Study on the drug rule of ancient prescriptions in the treatment of ankylosing spondylitis and the related pharmacological analysis based on data mining and network pharmacology 

JIANG Ping1,2,WEI Kai1,2,JIN Ye-hua1,2,ZHANG Run-run1,2,CHANG Cen1,2,XU Lin-shuai1,2,HE Dong-yi1,2*#br#

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  1. 1Shanghai University of Traditional Chinese Medicine,Shanghai 201203,China;2Guanghua Hospital Affiliated to Shanghai University of Traditional Chinese Medicine,Shanghai 200052,China

  • Online:2021-10-28 Published:2021-10-28

摘要: 本研究基于数据挖掘及网络药理学技术,总结古代医家治疗强直性脊柱炎处方用药规律,并对出现频率最高的药对进行网络药理学分析,阐明其药理作用机制,为临床治疗用药提供一定参考。通过检索中医药科学数据库,检索关键字段“痹”“脊痛”“大偻”“伛偻”等,然后将检索得到的古方进行筛选、统计处理、关联规则和系统聚类分析;之后运用网络药理学分析方法对高频药对独活-防风进行药理分析,阐明其成分、靶点、作用通路等。最终结果筛选出古方179首,统计中药205味,使用频率≥1%的中药有杜仲、肉桂、防风等27味,主要是补虚药、活血化瘀药、清热药、解表药和祛风湿药;关联规则挖掘共得到出现次数≥20的药物组合35个,其中独活-防风出现次数最高。高频药对独活-防风网络药理学分析结果显示独活-防风共含有21个有效成分,对应作用靶点237个,其中β-谷甾醇、汉黄芩素等可能是独活-防风治疗强直性脊柱炎的关键成分;药物作用于疾病的核心靶点包括IL6、TNF、NOS3、PTGS2、CXCL8 等17个。GO富集分析和KEGG通路分析显示核心靶点参与炎症反应、细胞对脂多糖的反应等多项进程,并通过TNF信号通路、Toll样受体信号通路、NF-κB信号通路等多条通路作用于强直性脊柱炎。本研究初步总结出古代医家治疗强直性脊柱炎采用补虚为主,兼以解表清热、活血化瘀、祛风除湿的标本兼治中医特色治法,为进一步应用中医药治疗强直性脊柱炎提供临床参考价值;网络药理分析表明独活-防风药对中的β-谷甾醇、汉黄芩素等有效成分可能通过IL6、TNF、NOS3、PTGS2、CXCL8等靶点作用于TNF信号通路、Toll样受体信号通路、NF-κB信号通路等多条通路,从而发挥治疗强直性脊柱炎的作用,表明中医药治疗疾病多成分、多靶点、多通路的特点,也为后续进一步实验验证和临床应用提供了理论基础。 


关键词: 数据挖掘, 网络药理学, 独活-防风, 强直性脊柱炎

Abstract:

Based on data mining and network pharmacology technology,this study summarized the prescription medication rule of ancient doctors in the treatment of AS,and analyzed the drug pairs with the highest frequency of occurrence through network pharmacology,to clarify their pharmacological mechanism,and to provide some reference for clinical medication.The key fields of “bi”,“ridge pain”,“big hunchback” and “rounded hunchback” were searched in the scientific database of TCM,and then the ancient prescriptions were screened,statistically processed,association rules and systematic cluster analysis were conducted.Then,using network pharmacological analysis method,the pharmacological analysis was carried out on the high frequency drug Radix Angelicae Biseratae-Saposhnikoviae Radix (RAB-SR),to clarify its composition,target.action pathway,etc.The results indicated 179 ancient prescriptions are screened out,and 205 Chinese medicines are counted.Twenty-seven Chinese medicines with the use frequency ≥1% are Eucommiae Cortex,Cinnanmomi Cortex,and Saposhnikoviae Radix,etc.,mainly including drugs to tonify deficiency,drugs to promote blood circulation and remove blood stasis,drugs to clear heat,drugs to relieve symptoms and drugs to dispel wind dampness.A total of 35 drug combinations with the occurrence times ≥20 was obtained by association rule mining,among which the occurrence times of RAB-SR was the highest.High-frequency medicine to RAB-SR network pharmacology analysis results show that RAB-SR contains 21 active ingredients,corresponding targets for 237,including Beta-sitosterol and Wogonin etc.They might be RAB-SR key components in the treatment of AS;The core targets of drugs acting on diseases include 17 targets such as IL6,TNF,NOS3,PTGS2 and CXCL8.GO enrichment analysis and KEGG pathway analysis showed that the core targets were involved in multiple processes such as inflammatory response and cell response to lipopolysaccharide,and acted on AS through multiple pathways such as TNF signaling pathway,Toll-like receptor signaling pathway and NF-κB signaling pathway.In the treatment of AS,ancient doctors mainly adopted the TCM characteristic treatment of tonifying deficiency,and simultaneously treating the symptoms and root causes of the disease by relieving the surface and clearing heat,promoting blood circulation and removing blood stasis,removing wind and removing dampness,which provides clinical reference value for further application of TCM in the treatment of AS.Network pharmacology analysis showed that RAB-SR medicine for the Beta-sitosterol and Wogonin,possibly through IL6,TNF,NOS3,signaling pathways in the role of PTGS2,CXCL8 targets such as TNF,Toll-like receptors signaling pathways,NF-κB signaling pathways,such as multiple access,so as to play to the role of the treatment of AS,shows that TCM to treat disease for the characteristics of composition,multiple targets,multiple pathways,also for the subsequent further experiment provides theoretical basis and clinical application.

Key words: data mining, network pharmacology, Radix Angelicae Biseratae-Saposhnikoviae Radix, ankylosing spondylitis 

中图分类号:  R285