PMC:7441777 / 238-2000 JSONTXT 9 Projects

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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.