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首页> 外文期刊>Journal of Medical Microbiology: An Official Journal of the Pathological Society of Great Britain and Ireland >Network pharmacology and molecular docking analysis on mechanisms of Tibetan Hongjingtian ( Rhodiola crenulata) in the treatment of COVID-19
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Network pharmacology and molecular docking analysis on mechanisms of Tibetan Hongjingtian ( Rhodiola crenulata) in the treatment of COVID-19

机译：藏红景天（<斜景> Rhodiola Crenulata ）治疗Covid-19的网络药理学与分子对接分析

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Introduction Coronavirus disease 2019 (COVID-19) is a highly contagious disease and ravages the world. Hypothesis/Gap Statement We proposed that R. crenulata might have potential value in the treatment of COVID-19 patients by regulating the immune response and inhibiting cytokine storm. Aim We aimed to explore the potential molecular mechanism for Rhodiola crenulata ( R. crenulata ) , against the immune regulation of COVID-19, and to provide a referenced candidate Tibetan herb ( R. crenulata ) to overcome COVID-19. Methodology Components and targets of R. crenulata were retrieved from the TCMSP database. GO analysis and Kyoto Encyclopaedia of Genes and Genomes (KEGG) pathway enrichment were built by R bioconductor package to explore the potential biological effects for targets of R. crenulata . The R. crenulata -compound-target network, target pathway network and protein–protein interaction (PPI) network were constructed using Cytoscape 3.3.0. Autodock 4.2 and Discovery Studio software were applied for molecular docking. Result Four bioactive components (quercetin, kaempferol, kaempferol-3-O-α- l -rhamnoside and tamarixetin) and 159 potential targets of R. crenulata were identified from the TCMSP database. The result of GO annotation and KEGG-pathway-enrichment analyses showed that target genes of R. crenulata were associated with inflammatory response and immune-related signalling pathways, especially IL-17 signalling pathway, and TNF signalling pathway. Targets-pathway network and PPI network showed that IL-6, IL-1B and TNF-α were considered to be hub genes. Molecular docking showed that core compound (quercetin) had a certain affinity with IL-1β, IL-6 and TNF-α. Conclusion R. crenulata might play an anti-inflammatory and immunoregulatory role in the cytokine storm of COVID-19.
机译：介绍冠状病毒疾病2019（Covid-19）是一种高度传染性的疾病和蹂躏世界。假设/差距陈述我们提出R. Crenulata通过调节免疫应答和抑制细胞因子风暴来治疗Covid-19患者的潜在价值。目的旨在探讨罗狄奥罗拉（R.Crenulata）的潜在分子机制，反对Covid-19的免疫调节，并提供引用的候选藏草药（R.Crenulata）来克服Covid-19。从TCMSP数据库检索r.Crenulata的方法组分和目标。 GO分析和基因和基因组（KEGG）途径富集的京都植物（KEGG）富集是由R Biocuctor包建造的，以探讨R. Crenulata靶的潜在生物学效果。使用Cytoscape 3.3.0构建R. Crenulata-Commpound-靶网络，靶途径网络和蛋白质 - 蛋白质相互作用（PPI）网络。 Autodock 4.2和Discovery Studio软件用于分子对接。结果四种生物活性成分（槲皮素，Kaempferol，Kaempferol-3-O-α-L-Rhamnoside和Tamarixetin）和R.Crenulata的159个潜在靶标的来自TCMSP数据库。 Go注释和富集富集分析的结果显示R. Crenulata的靶基因与炎症反应和免疫相关的信号通路，特别是IL-17信号传导途径和TNF信号通路相关。靶途径网络和PPI网络显示IL-6，IL-1B和TNF-α被认为是集线器基因。分子对接表明核心化合物（槲皮素）与IL-1β，IL-6和TNF-α具有一定的亲和力。结论R. Crenulata可能在Covid-19细胞因子风暴中发挥抗炎和免疫调节作用。

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