摘要
目的:采用网络药理学的方法,研究热毒宁与血必净的活性成分、作用靶点及生物学意义,探讨其“同病异治”新型冠状病毒肺炎(Corona Virus Disease 2019,COVID-19)的作用机制。方法:采用中药系统药理学数据库与分析平台(Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform,TCMSP)获取热毒宁与血必净的成分和靶点。采用GeneCards筛选COVID-19相关的蛋白,利用Cytoscape软件和STRING分别构建活性成分靶点网络和蛋白相互作用网络。借助Cytoscape的ClueGo工具和分子对接先后进行通路富集分析和验证。结果:网络分析结果表明,两方共有成分包括木犀草素、槲皮素、山奈酚、异鼠李素和植物甾醇等,其中槲皮素、木犀草素和山奈酚对新型冠状病毒产生的主要蛋白酶(3CLpro)有一定的结合能力;血必净中含有65个特有成分,热毒宁中含有24个特有成分。这些成分可能通过血管内皮生长因子A(VEGF-A)、胱天蛋白酶3(CASP3)、白介素6(IL-6)、丝裂原活化蛋白激酶1(MAPK1)、MAPK8等关键蛋白,以及Jak-STAT信号通路、PI3K-Akt信号通路、MAPK信号通路、TGF-β信号通路发挥抗COVID-19的作用。结论:热毒宁与血必净由于组方差异,在抗COVID-19靶点方面既有相同也有不同。本研究通过对其靶点和通路的分析,初步阐明了两方对COVID-19“同病异治”的科学内涵。
Objective:To study the active components,targets and biological significance of Reduning and Xuebijing by using network pharmacology,and also to explore the mechanism of treating Corona Virus Disease 2019(COVID-19)through“treating the same disease with different methods”.Methods:The components and targets of Reduning and Xuebijing were obtained via the access of Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform(TCMSP).COVID-19-related proteins were screened in GeneCards.Cytoscape software,STRING,ClueGo tool and molecular docking were used to respectively construct the active component target network and protein interaction network,and also to make pathway enrichment analysis and verification.Results:The results of network analysis showed that the common components of the two compounds included luteolin,quercetin,kaempferol,isorhamnetin and phytosterol,of which quercetin,luteolin and kaempferol displayed certain binding ability to 3CLpro.There were 65 unique components in Xuebijing and 24 unique components in Reduning.These components might play an anti-COVID-19 role through vascular endothelial growth factor-A(VEGF-A),CASP3,IL-6,MAPK1,MAPK8 and other key proteins,as well as Jak-STAT,PI3K-Akt,MAPK and TGF-βsignaling pathways.Conclusion:Due to component variations,Reduning and Xuebijing have both the same and different anti-COVID-19 targets.Through the analysis of targets and pathways,a preliminarily explanation was presented to clarify the scientific connotation of“treating the same disease with different methods”in the treatment of COVID-19.
作者
蔡孟成
金永生
CAI Mengcheng;JIN Yongsheng(College of Basic Medicine,Naval Medical University,Shanghai 200433,China;Teaching and Research Section of Organic Chemistry,School of Pharmacy,Naval Medical University,Shanghai 200433,China)
出处
《药学服务与研究》
CAS
2021年第2期86-90,105,共6页
Pharmaceutical Care and Research
基金
国家自然科学基金面上项目(81573585)。
关键词
新型冠状病毒肺炎
热毒宁
血必净
同病异治
网络药理学
Corona Virus Disease 2019
Reduning
Xuebijing
treating the same disease with different methods
network pharmacology
