|Title:||Polyphenols as Potential Inhibitors of SARS-CoV-2 RNA Dependent RNA Polymerase (RdRp)||Authors:||Wu, Yifei
Pegan, Scott D.
Hansen, Madelyn C.
Mullininx, Lauren Nicole
Starling, Edward B.
Chang, Kuan Y.
|Keywords:||RESPIRATORY SYNDROME CORONAVIRUS;RESVERATROL;REPLICATION;PROTEIN;ANTIOXIDANTS;SOLUBILITY;CHARMM36;GUI;DNA||Issue Date:||Dec-2021||Publisher:||MDPI||Journal Volume:||26||Journal Issue:||24||Source:||MOLECULES||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 alpha 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.
|Appears in Collections:||03 GOOD HEALTH AND WELL-BEING|
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