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Chemical composition and pharmacological mechanism of Qingfei Paidu Decoction and Ma Xing Shi Gan Decoction against Coronavirus Disease 2019 (COVID-19): In silico and experimental study.

清肺排毒汤与麻杏石甘汤抗冠状病毒 2019 (新型冠状病毒肺炎) 的化学成分及药理作用机制研究.

  • 影响因子:5.27
  • DOI:10.1016/j.phrs.2020.104820
  • 作者列表:"Yang R","Liu H","Bai C","Wang Y","Zhang X","Guo R","Wu S","Wang J","Leung E","Chang H","Li P","Liu T","Wang Y
  • 发表时间:2020-07-01
Abstract

:The Coronavirus Disease 2019 (COVID-19) pandemic has become a huge threaten to global health, which raise urgent demand of developing efficient therapeutic strategy. The aim of the present study is to dissect the chemical composition and the pharmacological mechanism of Qingfei Paidu Decoction (QFPD), a clinically used Chinese medicine for treating COVID-19 patients in China. Through comprehensive analysis by liquid chromatography coupled with high resolution mass spectrometry (MS), a total of 129 compounds of QFPD were putatively identified. We also constructed molecular networking of mass spectrometry data to classify these compounds into 14 main clusters, in which exhibited specific patterns of flavonoids (45 %), glycosides (15 %), carboxylic acids (10 %), and saponins (5 %). The target network model of QFPD, established by predicting and collecting the targets of identified compounds, indicated a pivotal role of Ma Xing Shi Gan Decoction (MXSG) in the therapeutic efficacy of QFPD. Supportively, through transcriptomic analysis of gene expression after MXSG administration in rat model of LPS-induced pneumonia, the thrombin and Toll-like receptor (TLR) signaling pathway were suggested to be essential pathways for MXSG mediated anti-inflammatory effects. Besides, changes in content of major compounds in MXSG during decoction were found by the chemical analysis. We also validate that one major compound in MXSG, i.e. glycyrrhizic acid, inhibited TLR agonists induced IL-6 production in macrophage. In conclusion, the integration of in silico and experimental results indicated that the therapeutic effects of QFPD against COVID-19 may be attributed to the anti-inflammatory effects of MXSG, which supports the rationality of the compatibility of TCM.

摘要

冠状病毒病 2019 (新型冠状病毒肺炎) 已成为威胁全球健康的重大疾病,迫切需要制定有效的治疗策略。本研究旨在探讨中药清肺排毒汤的化学成分及药理作用机制,为临床治疗新型冠状病毒肺炎提供理论依据。通过液相色谱-高分辨质谱 (MS) 综合分析,共鉴定了QFPD的 129 个化合物。我们还构建了质谱数据的分子网络,将这些化合物分类为 14 个主要簇,其中表现出黄酮 (45%) 、苷 (15%) 、羧酸 (10%) 的特定模式,和皂苷 (5%)。通过预测和收集已鉴定化合物的靶点,建立了QFPD的靶点网络模型,表明麻杏石甘汤 (MXSG) 在QFPD的治疗疗效中具有举足轻重的作用。支持性地,通过在LPS诱导的肺炎大鼠模型中MXSG给药后基因表达的转录组学分析,凝血酶和Toll样受体 (TLR) 信号通路被认为是MXSG介导的抗炎作用的必需通路。此外,通过化学分析发现MXSG在煎煮过程中主要化合物的含量变化。我们还验证了MXSG中的一个主要化合物,即甘草酸抑制TLR激动剂诱导巨噬细胞产生IL-6。总之,整合计算机模拟和实验结果表明,QFPD对新型冠状病毒肺炎的治疗作用可能归因于MXSG的抗炎作用,支持中药配伍的合理性。

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呼吸道感染方向

呼吸道感染分为上呼吸道感染与下呼吸道感染。上呼吸道感染是指自鼻腔至喉部之间的急性炎症的总称,是最常见的感染性疾病。下呼吸道感染是最常见的感染性疾患,治疗时必须明确引起感染的病原体以选择有效的抗生素。

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