http://scholars.ntou.edu.tw/handle/123456789/20177
標題: | Polyphenols as Potential Inhibitors of SARS-CoV-2 RNA Dependent RNA Polymerase (RdRp) | 作者: | 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 |
關鍵字: | RESPIRATORY SYNDROME CORONAVIRUS;RESVERATROL;REPLICATION;PROTEIN;ANTIOXIDANTS;SOLUBILITY;CHARMM36;GUI;DNA | 公開日期: | 十二月-2021 | 出版社: | MDPI | 卷: | 26 | 期: | 24 | 來源出版物: | MOLECULES | 摘要: | 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. |
URI: | http://scholars.ntou.edu.tw/handle/123456789/20177 | ISSN: | 1420-3049 | DOI: | 10.3390/molecules26247438 |
顯示於: | 03 GOOD HEALTH AND WELL-BEING 資訊工程學系 |
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