Id |
Subject |
Object |
Predicate |
Lexical cue |
T7 |
0-176 |
Sentence |
denotes |
The sudden outburst of Coronavirus disease (COVID-19) caused by the Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) poses a massive threat to global public health. |
T8 |
177-244 |
Sentence |
denotes |
Currently, no therapeutic drug or vaccine exists to treat COVID-19. |
T9 |
245-371 |
Sentence |
denotes |
Due to the time taking process of new drug development, drug repurposing might be the only viable solution to tackle COVID-19. |
T10 |
372-503 |
Sentence |
denotes |
RNA‐dependent RNA polymerase (RdRp) catalyzes SARS-CoV-2 RNA replication and hence, is an obvious target for antiviral drug design. |
T11 |
504-603 |
Sentence |
denotes |
Interestingly, several plant-derived polyphenols effectively inhibit the RdRp of other RNA viruses. |
T12 |
604-743 |
Sentence |
denotes |
More importantly, polyphenols have been used as dietary supplementations for a long time and played beneficial roles in immune homeostasis. |
T13 |
744-862 |
Sentence |
denotes |
We were curious to study the binding of polyphenols with SARS-CoV-2 RdRp and assess their potential to treat COVID-19. |
T14 |
863-977 |
Sentence |
denotes |
Herein, we made a library of polyphenols that have shown substantial therapeutic effects against various diseases. |
T15 |
978-1040 |
Sentence |
denotes |
They were successfully docked in the catalytic pocket of RdRp. |
T16 |
1041-1273 |
Sentence |
denotes |
The investigation reveals that EGCG, theaflavin (TF1), theaflavin-3’-O-gallate (TF2a), theaflavin-3’-gallate (TF2b), theaflavin 3,3'-digallate (TF3), hesperidin, quercetagetin, and myricetin strongly bind to the active site of RdRp. |
T17 |
1274-1411 |
Sentence |
denotes |
Further, a 150-ns molecular dynamic simulation revealed that EGCG, TF2a, TF2b, TF3 result in highly stable bound conformations with RdRp. |
T18 |
1412-1517 |
Sentence |
denotes |
The binding free energy components calculated by the MM-PBSA also confirm the stability of the complexes. |
T19 |
1518-1640 |
Sentence |
denotes |
We also performed a detailed analysis of ADME prediction, toxicity prediction, and target analysis for their druggability. |
T20 |
1641-1762 |
Sentence |
denotes |
Overall, our results suggest that EGCG, TF2a, TF2b, TF3 can inhibit RdRp and represent an effective therapy for COVID-19. |