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10.1371/journal.pcbi.1008489

http://scihub22266oqcxt.onion/10.1371/journal.pcbi.1008489
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33382685!7774833!33382685
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suck abstract from ncbi


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pmid33382685      PLoS+Comput+Biol 2020 ; 16 (12): e1008489
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  • A novel virtual screening procedure identifies Pralatrexate as inhibitor of SARS-CoV-2 RdRp and it reduces viral replication in vitro #MMPMID33382685
  • Zhang H; Yang Y; Li J; Wang M; Saravanan KM; Wei J; Tze-Yang Ng J; Tofazzal Hossain M; Liu M; Zhang H; Ren X; Pan Y; Peng Y; Shi Y; Wan X; Liu Y; Wei Y
  • PLoS Comput Biol 2020[Dec]; 16 (12): e1008489 PMID33382685show ga
  • The spread of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) virus poses serious threats to the global public health and leads to worldwide crisis. No effective drug or vaccine is readily available. The viral RNA-dependent RNA polymerase (RdRp) is a promising therapeutic target. A hybrid drug screening procedure was proposed and applied to identify potential drug candidates targeting RdRp from 1906 approved drugs. Among the four selected market available drug candidates, Pralatrexate and Azithromycin were confirmed to effectively inhibit SARS-CoV-2 replication in vitro with EC50 values of 0.008muM and 9.453 muM, respectively. For the first time, our study discovered that Pralatrexate is able to potently inhibit SARS-CoV-2 replication with a stronger inhibitory activity than Remdesivir within the same experimental conditions. The paper demonstrates the feasibility of fast and accurate anti-viral drug screening for inhibitors of SARS-CoV-2 and provides potential therapeutic agents against COVID-19.
  • |*Drug Repositioning[MESH]
  • |Aminopterin/*analogs & derivatives/chemistry/pharmacology[MESH]
  • |Animals[MESH]
  • |Antiviral Agents/*pharmacology[MESH]
  • |Azithromycin/chemistry/pharmacology[MESH]
  • |COVID-19 Drug Treatment[MESH]
  • |Chlorocebus aethiops[MESH]
  • |Computer Simulation[MESH]
  • |Deep Learning[MESH]
  • |Drug Evaluation, Preclinical/*methods[MESH]
  • |Molecular Dynamics Simulation[MESH]
  • |RNA-Dependent RNA Polymerase/*antagonists & inhibitors/chemistry[MESH]
  • |SARS-CoV-2/*physiology[MESH]
  • |Vero Cells[MESH]


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