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Polyphenols as Potential Inhibitors of SARS-CoV-2 RNA Dependent RNA Polymerase (RdRp).

Yifei Wu1, David Crich2, Scott D Pegan3

  • 1School of Electrical and Computer Engineering, College of Engineering, University of Georgia, Athens, GA 30602, USA.

Molecules (Basel, Switzerland)
|December 24, 2021
PubMed
Summary

Polyphenols show promise in inhibiting SARS-CoV-2 RNA-dependent RNA polymerase (RdRp). Computational studies identified polyphenol candidates with stronger binding affinities than remdesivir, suggesting potential new COVID-19 treatments.

Keywords:
COVID-19MD simulationantiviraldrug discoverymolecular dockingnatural productpolyphenolremdesivirvirtual screening

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Area of Science:

  • Biochemistry
  • Computational Biology
  • Virology

Background:

  • Polyphenols exhibit antiviral properties and are investigated for inhibiting SARS-CoV and SARS-CoV-2.
  • Previous research demonstrated polyphenols blocking DNA elongation by competing with nucleoside triphosphates (NTPs) against DNA polymerase α and HIV reverse transcriptase.

Purpose of the Study:

  • To computationally examine the potential of polyphenols in inhibiting the SARS-CoV-2 RNA-dependent RNA polymerase (RdRp).
  • To identify polyphenol candidates with superior binding affinities compared to remdesivir for RdRp inhibition.

Main Methods:

  • Utilized computational approaches to analyze polyphenol interactions with SARS-CoV-2 RdRp.
  • Estimated binding affinities of selected polyphenols to RdRp.

Main Results:

  • Identified several polyphenol candidates exhibiting significant inhibitory potential against SARS-CoV-2 RdRp.
  • Some identified polyphenols demonstrated stronger estimated binding affinities than remdesivir, an FDA-approved RdRp inhibitor.

Conclusions:

  • Polyphenols represent a promising class of compounds for targeting SARS-CoV-2 RdRp.
  • Further investigation of these identified polyphenols could lead to the development of novel therapeutics for COVID-19.