《Life Sciences,3月25日,Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study》

  • 来源专题:COVID-19科研动态监测
  • 编译者: zhangmin
  • 发布时间:2020-04-27
  • Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study

    Author links open overlay panelAbdo A.Elfiky

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    https://doi.org/10.1016/j.lfs.2020.117592

    Abstract

    Aims

    A new human coronavirus (HCoV), which has been designated SARS-CoV-2, began spreading in December 2019 in Wuhan City, China causing pneumonia called COVID-19. The spread of SARS-CoV-2 has been faster than any other coronaviruses that have succeeded in crossing the animal-human barrier. There is concern that this new virus will spread around the world as did the previous two HCoVs—Severe Acute Respiratory Syndrome (SARS) and Middle East Respiratory Syndrome (MERS)—each of which caused approximately 800 deaths in the years 2002 and 2012, respectively. Thus far, 11,268 deaths have been reported from the 258,842 confirmed infections in 168 countries.

  • 原文来源:https://www.sciencedirect.com/science/article/pii/S0024320520303404
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  • 《MJAFI,5月30日,Evaluating the potential of different inhibitors on RNA-dependent RNA polymerase of severe acute respiratory syndrome coronavirus 2: A molecular modeling approach》

    • 来源专题:COVID-19科研动态监测
    • 编译者:zhangmin
    • 发布时间:2020-05-31
    • Evaluating the potential of different inhibitors on RNA-dependent RNA polymerase of severe acute respiratory syndrome coronavirus 2: A molecular modeling approach Author links open overlay panelShuvasishChoudhuryaDebojyotiMoulickbPurbajyotiSaikiacMuhammed KhairujjamanMazumderc Show more https://doi.org/10.1016/j.mjafi.2020.05.005 Abstract Background Coronavirus disease 2019 (COVID-19) has already affected 2883603 and killed 198842 people, as of April 27, 2020. Because there is no specific therapeutic drug, drug repurposing has been proposed. RNA-dependent RNA polymerase (RdRp) is a promising drug against severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) to control its replication, and several compounds have been suggested. The present study predicts relative efficacies of thirty known or repurposed compounds in inhibiting the RdRp. Methods The three-dimensional structure of the target enzyme was loaded into Molegro virtual docker software, followed by chemical structures of the test compounds. The docking was performed between the compounds and the active site of the enzyme to determine docking scores, and the energy liberated when the two dock. Thus, docking scores signify the affinity of ligand(s) with the active site of enzyme(s) and thus its inhibitory potential.
  • 《3月25日_利巴韦林、瑞德昔韦、索福布韦、盖里徳昔韦和替诺福韦阻断SARS-CoV-2 RNA依赖的RNA聚合酶活性》

    • 来源专题:COVID-19科研动态监测
    • 编译者:xuwenwhlib
    • 发布时间:2020-04-27
    • 信息名称:利巴韦林、瑞德昔韦、索福布韦、盖里徳昔韦和替诺福韦阻断SARS-CoV-2 RNA依赖的RNA聚合酶活性 1.时间:2020年3月25日 2.机构或团队:开罗大学 3.事件概要: 开罗大学在Life Sciences发表文章“Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study”。文章旨在利用分子对接的方法评价几种对SARS-CoV-2 RNA依赖的RNA聚合酶(RdRp)有相互作用的药物。 文章指出,RdRp是RNA病毒生命周期中重要的病毒酶,在丙肝病毒(HCV)、寨卡病毒(ZIKV)和冠状病毒(CoVs)等多种病毒中发挥重要作用。在本研究中,对新出现的冠状病毒的SARS-CoV-2 RNA依赖RNA聚合酶(RdRp)进行建模,然后基于分子对接技术对目前市场上已批准用于各种病毒的不同的抗聚合酶药物进行靶点验证。结果表明,利巴韦林、瑞德西韦、索福布韦、盖里德西韦和替诺福韦可以与SARS-CoV-2的RdRp紧密结合,是潜在的治疗SARS-CoV-2的药物。此外,结果表明鸟苷衍生物(IDX-184)、塞特布韦和YAK具有对抗SARS-CoV-2毒株的高潜力,是抗病毒治疗的首选。 4.附件: 原文链接:https://www.sciencedirect.com/science/article/pii/S0024320520303404