基于数据挖掘探讨苍术-厚朴药治疗新冠肺炎的作用机制  

Exploring the mechanism of Rhizoma atractylodis-Magnolia officinalis in the treatment of COVID-19 based on data mining

作　　者：南洋[1,2] 饶凌峰[2] 王卉 NAN Yang;RAO Lingfeng;WANG Hui(College of Chinese and Western Medicine,Liaoning University of Traditional Chinese Medicine,Shenyang 116600;College of Pharmacy,Heilongjiang University of Traditional Chinese Medicine,Harbin 150006,China)

机构地区：[1]辽宁中医药大学中西医结合学院,辽宁沈阳116600 [2]黑龙江中医药大学药学院,黑龙江哈尔滨150006

出　　处：《生物技术》2025年第1期37-43,共7页Biotechnology

基　　金：黑龙江省中医药科研项目(ZYW-2022-086,ZYW-2002-087);辽宁中医药大学2023年高层次人才引进科研启动项目(21601A2163)。

摘　　要：[目的]对苍术-厚朴药治疗新冠肺炎的作用机制进行分析探究。[方法]通过中药系统药理学数据库(TCMSP)搜索苍术-厚朴药对主要化学成分及作用的靶点,通过GeneCards、OMIM、TTD和DrugBank数据库收集与新冠肺炎相关的作用靶点,通过STRING数据库对共同作用靶点进行筛选,构建药物-活性成分-核心靶点网络。利用绘图工具对富集分析数据进行多维网络图形绘制,利用CB-Dock模块进行分子对接。[结果]获得苍术-厚朴药对有效成分17个,4072个COVID-19相关靶点,根据度值可知主要有效成分为汉黄芩素、和厚朴酚、厚朴酚、苍术酮Ⅰ、桉树脑等,核心靶点为白细胞介素6(IL-6)、IL1B、肿瘤坏死因子(TNF)、丝氨酸/苏氨酸蛋白激酶(AKT1)、肿瘤蛋白p53(TP53)等,聚焦于癌症通路、AGE-RAGE糖尿病并发症信号通路、脂类和动脉粥样硬化、人巨细胞病毒感染、IL-17信号通路等通路。分子对接验证核心成分均能与靶点结合。[结论]证实苍术酮I和汉黄芩素是苍术-厚朴药对中的主要活性成分,通过核心靶点IL-6、TNF、AKT1、TP53对新冠肺炎发挥治疗作用,为中药在新冠肺炎的治疗中提供新思路。[Objective]To analyze and explore the mechanism of Rhizoma atractylodis-Magnolia officinalis in the treatment of novel coronavirus pneumonia.[Method]The systematic pharmacology database of Traditional Chinese Medicine(TCMSP)was used to search for the main chemical components and action targets of couplet medicines,and the COVID-19 related action targets were collected through GeneCards,OMIM,TTD and DrugBank databases.The co-acting targets were screened through STRING database,and the drug-active ingredient-core target network was constructed.Multi-dimensional network graphics were drawn on GO and KEGG enrichment analysis data with Weisheng online drawing tool.CB-Dock module is used for molecular docking.[Result]17 active ingredients and 4072 targets related to COVID-19 were obtained.According to the degree value,the main active ingredients were Wogonin,Magnolol,Honokiol,AtractylosteroneⅠ,Eucalyptol,etc.The core targets were IL6,IL1B,TNF,AKT1,TP53,etc.The focus is on the cancer pathway,AGE-RAGE diabetes complication signaling pathway,lipid and atherosclerosis,human cytomegalovirus infection,IL-17 signaling pathway etc.Molecular docking proved that the core components could bind to the target.[Conclusion]It confirmed that AtractylenolideⅠand Wogonin are the main active components of Rhizoma atractylodis-Magnolia officinalis,through the core targets IL-6,TNF,AKT1,TP53 play a role of treatment to COVID-19,providing new ideas for the treatment of COVID-19 with traditional Chinese medicine.

关 键 词：苍术 厚朴 网络药理学 分子对接 作用机制 苍术内酯I 汉黄芩素 通路 

分 类 号：R563.1[医药卫生—呼吸系统]