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《ChemRxiv，2月19日，Potential Inhibitors Against Papain-like Protease of Novel Coronavirus (COVID-19) from FDA Approved Drugs》

  • 来源专题：COVID-19科研动态监测
  • 编译者： zhangmin
  • 发布时间：2020-02-20

  • Potential Inhibitors Against Papain-like Protease of Novel Coronavirus (COVID-19) from FDA Approved Drugs

    Preprint submitted on 17.02.2020, 01:03 and posted on 19.02.2020, 05:54 by Rimanshee Arya Amit Das Vishal Prashar Mukesh Kumar

    The cases of 2019 novel coronavirus (COVID-19) infection have been continuously increasing ever since its outbreak in China last December. Currently, there are no approved drugs to treat the infection. In this scenario, there is a need to utilize the existing repertoire of FDA approved drugs to treat the disease. The rational selection of these drugs could be made by testing their ability to inhibit any COVID-19 proteins essential for viral life-cycle. We chose one such crucial viral protein, the papain-like protease (PLpro), to screen the FDA approved drugs in silico. The homology model of the protease was built based on the SARS-coronavirus PLpro structure, and the drugs were docked in S3/S4 pockets of the active site of the enzyme. In our docking studies, fifteen FDA approved drugs, including chloroquine and formoterol, bind the target enzyme with significant affinity and good geometry, suggesting their potential to be utilized against the virus.

    *注，本文为预印本论文手稿，是未经同行评审的初步报告，其观点仅供科研同行交流，并不是结论性内容，请使用者谨慎使用.

  • 原文来源：https://chemrxiv.org/articles/Potential_Inhibitors_Against_Papain-like_Protease_of_Novel_Coronavirus_COVID-19_from_FDA_Approved_Drugs/11860011
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  • 《SSRN，3月17日，Molecular Modeling of Isolated Phytochemicals from Ocimum Sanctum Towards Exploring Potential Inhibitors of SARS Coronavirus Main Protease and Papain-Like Protease to Treat COVID-19》
    • 来源专题：COVID-19科研动态监测
    • 编译者：zhangmin
    • 发布时间：2020-03-21
    • Molecular Modeling of Isolated Phytochemicals from Ocimum Sanctum Towards Exploring Potential Inhibitors of SARS Coronavirus Main Protease and Papain-Like Protease to Treat COVID-19 Posted: 17 Mar 2020 Krishna Kumar Varshney MIT College of Pharmacy MIT Group of Institutions, Moradabad Megha Varshney BBDIT College of Pharmacy, Ghaziabad Bishamber Nath MET Faculty of Pharmacy, MIT Group of Institutions, Moradabad Date Written: March 14, 2020 Abstract Background: In December 2019, there was a cluster of pneumonia cases in China. Investigations found that it was caused by a previously unknown virus, now named the 2019 Novel Coronavirus (CoV). CoV are a large group of viruses; they consist of a core of genetic material surrounded by an envelope of proteins spikes. There are different types of CoV that causes respiratory and sometimes gastrointestinal symptoms. Respiratory symptoms can range from the common cold to pneumonia and in most people the symptoms tend to be mild. However, there are some types of CoV that can cause severe disease, these include SARS - CoV, identified in China 2003, and MERS - CoV, that was first identified in Saudi Arabia in 2012. The 2019 CoV was first identified in China 2019. Currently 146, 305 cases has been reported for CoV included 5441 case for death, widely. To overcome this epidemiology, investigator find CoV main protease and papain-like protease, which plays a pivotal role in viral gene expression and replication through the proteolytic processing of replicase polyproteins, is an attractive target for anti-CoV drug design.
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  • 《ChemRxiv，2月13日，Virtual Screening of an FDA Approved Drugs Database on Two COVID-19 Coronavirus Proteins》
    • 来源专题：COVID-19科研动态监测
    • 编译者：zhangmin
    • 发布时间：2020-02-14
    • Virtual Screening of an FDA Approved Drugs Database on Two COVID-19 Coronavirus Proteins Preprint submitted on 13.02.2020, 19:45 and posted on 13.02.2020, 13:29 by Alessandro Contini The infection by the 2019-nCoV coronavirus (COVID-19) is a world-wide emergency. The crystal structure of a protein essential for virus replication has been filed in the Protein Data Bank recently. Additionally, homology models of 24 COVID-19 proteins were made available by the Zhang group. In this paper, we present results deriving from the virtual screening of a database of more than 3000 FDA approved drugs on two distinct targets. Results showed that some of the known protease inhibitors currently used in HIV infections might be helpful for the therapy of COVID-19 also. *注，本文为预印本论文手稿，是未经同行评审的初步报告，其观点仅供科研同行交流，并不是结论性内容，请使用者谨慎使用.
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