Guang-Jin Li, Zhi-Hong Hao, Han-Jing Wang, Chen Wang, Da-Wei Liu, Liang Chen, Yan Sun
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引用次数: 0
Abstract
Objective: Coronavirus disease-2019 (COVID-19) can cause not only respiratory symptoms but also facial paralysis. Lianhua Qingwen (LHQW) has been reported to have therapeutic effects on COVID-19 and facial neuritis (FN). We explored the potential mechanism of LHQW in the treatment of COVID-19 and FN through a network-pharmacology approach.
Methods: Active compounds and relevant targets of LHQW were obtained from the databases of Traditional Chinese Medicine Systems Pharmacology Database, HERB, UniProt Knowledge Base, SwissADME, and Swiss Target Prediction. Disease targets of COVID-19 and FN were acquired from Gene Cards. Database For Annotation, Visualization And Integrated Discovery and Metascape were used to search the biological functions of intersecting targets. After identifying the core targets and their corresponding ingredients, KEGG Mapper analyzes the localization of core targets in key pathways. AutoDock were employed to conduct molecular docking of the core targets and their corresponding ingredients.
Results: We obtained four core genes: interleukin (IL)-8, IL-1B, IL-6, and tumor necrosis factor (TNF)-α. Database searching revealed the anti-inflammatory and antiviral effects of LHQW may be related to the action of aleo-emodin, hyperforin, kaempferol, luteolin, and quercetin on these four genes by regulating the pathways of IL-17 and NOD-like receptor. The molecular-docking results of the four core targets and their corresponding active ingredients showed good binding activity between receptors and ligands.
Conclusions: We uncovered the active ingredients, potential targets, and biological pathways of LHQW for COVID-19 and FN coinfection. Our data provide a theoretical basis for further exploration of the mechanism of action of LHQW in treatment of COVID-19 and FN.
目的:新型冠状病毒病-2019 (COVID-19)不仅会引起呼吸系统症状,还会导致面瘫。连花清文(LHQW)有治疗新冠肺炎和面神经炎(FN)的疗效报道。我们通过网络药理学方法探讨了LHQW治疗COVID-19和FN的潜在机制。方法:从中药系统药理学数据库、HERB、UniProt知识库、SwissADME、Swiss Target Prediction等数据库中获取LHQW的有效成分及相关靶点。从基因卡中获得COVID-19和FN的疾病靶标。利用Database For Annotation, Visualization And Integrated Discovery And metscape对交叉靶点的生物学功能进行检索。在确定核心靶点及其对应成分后,KEGG Mapper分析关键通路中核心靶点的定位。利用AutoDock对核心靶点及其相应成分进行分子对接。结果:获得4个核心基因:白细胞介素(IL)-8、IL- 1b、IL-6和肿瘤坏死因子(TNF)-α。通过数据库检索发现,大黄素、金丝桃素、山奈酚、木犀草素和槲皮素通过调控IL-17和nod样受体通路对这四个基因的作用可能与大黄素、金丝桃素、山奈酚对这四个基因的作用有关。四种核心靶点及其相应活性成分的分子对接结果显示,受体与配体之间具有良好的结合活性。结论:我们发现了LHQW对COVID-19和FN合并感染的有效成分、潜在靶点和生物学途径。我们的数据为进一步探索LHQW治疗COVID-19和FN的作用机制提供了理论基础。