今日药学

2022, v.32(03) 183-189

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基于网络药理学探讨麻黄-苦杏仁对COVID-19的干预机制
Mechanism of Ephedrae Herba-Armeniacae Semen Amarum on COVID-19 Based on Network Pharmacology

张卫东;赵权;蒋婷;
ZHANG Weidong;ZHAO Quan;JIANG Ting;Changzhou Hospital of Traditional Chinese Medicine;

摘要(Abstract):

目的 基于网络药理学方法预测麻黄-苦杏仁药对干预新型冠状病毒肺炎(COVID-19)的作用靶点及信号通路,进而探讨潜在作用机制。方法 通过中药系统药理学分析平台(TCMSP)及Swiss Target Prediction服务器筛选麻黄-苦杏仁药对相关活性成分及靶点;通过The Human Gene Database (GeneCards)数据库查找与COVID-19相关的靶点,并将两者靶点通过基因标准化后进行映射;运用Cytoscape3.7.1软件构建“化合物-靶点”网络图,使用蛋白质相互作用网络数据库(String11.0)数据库绘制蛋白互作(PPI)网络,利用功能注释生物信息学分析平台(David)数据库对有效作用靶点进行GO功能、KEGG通路富集分析。结果 共筛选到40个活性成分,成分相关靶点529个,COVID-19靶点259个,药物-疾病的共同靶点44个。GO功能富集分析得到GO条目238个,其中生物过程(BP)条目169个,细胞组成(CC)条目31个,分子功能(MF)条目38个,主要涉及转录因子调控、蛋白质结合、激酶活性、炎症反应调控等。KEGG通路富集筛选得到109条信号通路,主要涉及PI3K-Akt、HIF-1、Ras、TNF等信号通路。结论 麻黄-苦杏仁药对可能主要通过所含的黄酮类活性成分等作用于MAPK1、MAPK3、MAPK8、IL-6、EGFR、NFκB1等靶标,调节炎症反应、细胞凋亡、氧化应激等过程来降低肺损伤,从而达到干预COVID-19的目的。
OBJECTIVE To predict the mechanism of Ephedrae Herba-Armeniacae Semen Amarum in treatment of new coronavirus pneumonia(COVID-19) by predicting targets and signaling pathways based on network pharmacology. METHODS The Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP) and the Swiss Target Prediction database were used to screen active components and corresponding targets of Ephedrae Herba-Armeniacae Semen Amarum.Genegards database was used to predict the disease targets, and the two targets were mapped.A "compound-target" network map was constructed by using the software of Cytoscape 3.7.1.The PPI network was constructed by String11.0 platform, and the David database was used to perform GO function and KEGG pathway enrichment analysis on effective targets. RESULTS After screening, a total of 40 active ingredients and 529 related targets were obtained, 259 targets related to COVID-19 were screened, and 44 common targets of drug and disease were obtained.GO function analysis found 238 entries(169 BP entries, 31 CC entries and 38 MF entries) which were related to regulation of transcription factor, protein binding, kinase activity and inflammatory response.KEGG pathway analysis found 37 entries which were related PI3 K-Akt, HIF-1,Ras, TNF and other signaling pathways. CONCLUSION Ephedrae Herba-Armeniacae Semen Amarum may regulate MAPK1,MAPK3,MAPK8,IL-6,EGFR,NFκB1 and other targets mainly through flavonoids active ingredients by regulating inflammatory response, cell apoptosis, oxidative stress and other processes to reduce lung injury and then treating COVID-19.

关键词(KeyWords): 麻黄-苦杏仁;新型冠状病毒肺炎;网络药理学;作用机制
Ephedrae Herba-Armeniacae Semen Amarum;COVID-19;network pharmacology;mechanism

Abstract:

Keywords:

基金项目(Foundation): 常州市科技计划项目(CJ20209018)

作者(Authors): 张卫东;赵权;蒋婷;
ZHANG Weidong;ZHAO Quan;JIANG Ting;Changzhou Hospital of Traditional Chinese Medicine;

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