Pub. Date : 2022 May 23
PMID : 35435671
7 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
| 1 | Remdesivir is a nucleotide analogue that targets the RNA-dependent RNA polymerase (RdRp) of coronaviruses, including SARS-CoV-2. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
| 2 | Several hypotheses of the mechanism of inhibition of RdRp by remdesivir have been proposed, although open questions remain. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
| 3 | This work uses molecular dynamics simulations to explore the impact of remdesivir and two analogues as incoming nucleotides and of up to four incorporations of remdesivir along the primer strand on RdRp. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
| 4 | This work uses molecular dynamics simulations to explore the impact of remdesivir and two analogues as incoming nucleotides and of up to four incorporations of remdesivir along the primer strand on RdRp. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
| 5 | The simulation results suggest that the overall structure and the dynamical behavior of RdRp are destabilized by remdesivir and the two analogues in the incoming position. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
| 6 | The incorporation of remdesivir along the primer strand impacts specific non-bonded interactions between the nascent RNA and the polymerase subunit, as well as the overall dynamical networks on RdRp. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
| 7 | Our results provide atomic-level details of the role played by remdesivir on the disruption of RNA synthesis by RdRp and the main drivers of these disruptions. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |