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10.1021/acsomega.0c02096

http://scihub22266oqcxt.onion/10.1021/acsomega.0c02096
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32743211!7391942!32743211
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suck abstract from ncbi


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pmid32743211      ACS+Omega 2020 ; 5 (29): 18356-18366
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  • Prediction of Small Molecule Inhibitors Targeting the Severe Acute Respiratory Syndrome Coronavirus-2 RNA-dependent RNA Polymerase #MMPMID32743211
  • Ahmad M; Dwivedy A; Mariadasse R; Tiwari S; Kar D; Jeyakanthan J; Biswal BK
  • ACS Omega 2020[Jul]; 5 (29): 18356-18366 PMID32743211show ga
  • The current COVID-19 outbreak warrants the design and development of novel anti-COVID therapeutics. Using a combination of bioinformatics and computational tools, we modelled the 3D structure of the RdRp (RNA-dependent RNA polymerase) of SARS-CoV2 (severe acute respiratory syndrome coronavirus-2) and predicted its probable GTP binding pocket in the active site. GTP is crucial for the formation of the initiation complex during RNA replication. This site was computationally targeted using a number of small molecule inhibitors of the hepatitis C RNA polymerase reported previously. Further optimizations suggested a lead molecule that may prove fruitful in the development of potent inhibitors against the RdRp of SARS-CoV2.
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