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Polyphenols as Potential Inhibitors of SARS-CoV-2 RNA Dependent RNA Polymerase (RdRp).
Wu, Yifei; Crich, David; Pegan, Scott D; Lou, Lei; Hansen, Madelyn C; Booth, Carson; Desrochers, Ellison; Mullininx, Lauren Nicole; Starling, Edward B; Chang, Kuan Y; Xie, Zhong-Ru.
  • Wu Y; School of Electrical and Computer Engineering, College of Engineering, University of Georgia, Athens, GA 30602, USA.
  • Crich D; Department of Pharmaceutical and Biomedical Sciences, College of Pharmacy, University of Georgia, Athens, GA 30602, USA.
  • Pegan SD; Division of Biomedical Sciences, School of Medicine, University of California Riverside, Riverside, CA 92521, USA.
  • Lou L; School of Electrical and Computer Engineering, College of Engineering, University of Georgia, Athens, GA 30602, USA.
  • Hansen MC; Franklin College of Arts and Sciences, University of Georgia, Athens, GA 30602, USA.
  • Booth C; Franklin College of Arts and Sciences, University of Georgia, Athens, GA 30602, USA.
  • Desrochers E; Franklin College of Arts and Sciences, University of Georgia, Athens, GA 30602, USA.
  • Mullininx LN; Franklin College of Arts and Sciences, University of Georgia, Athens, GA 30602, USA.
  • Starling EB; Franklin College of Arts and Sciences, University of Georgia, Athens, GA 30602, USA.
  • Chang KY; Department of Computer Science and Engineering, National Taiwan Ocean University, Keelung 202, Taiwan.
  • Xie ZR; School of Electrical and Computer Engineering, College of Engineering, University of Georgia, Athens, GA 30602, USA.
Molecules ; 26(24)2021 Dec 08.
Article in English | MEDLINE | ID: covidwho-1555013
ABSTRACT
An increasing number of studies have demonstrated the antiviral nature of polyphenols, and many polyphenols have been proposed to inhibit SARS-CoV or SARS-CoV-2. Our previous study revealed the inhibitory mechanisms of polyphenols against DNA polymerase α and HIV reverse transcriptase to show that polyphenols can block DNA elongation by competing with the incoming NTPs. Here we applied computational approaches to examine if some polyphenols can also inhibit RNA polymerase (RdRp) in SARS-CoV-2, and we identified some better candidates than remdesivir, the FDA-approved drug against RdRp, in terms of estimated binding affinities. The proposed compounds will be further examined to develop new treatments for COVID-19.
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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Polyphenols / SARS-CoV-2 Language: English Journal subject: Biology Year: 2021 Document Type: Article Affiliation country: Molecules26247438

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Full text: Available Collection: International databases Database: MEDLINE Main subject: Antiviral Agents / Polyphenols / SARS-CoV-2 Language: English Journal subject: Biology Year: 2021 Document Type: Article Affiliation country: Molecules26247438