Pub. Date : 2021 Feb 22
PMID : 33615998
7 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
1 | Some of these compounds gave better K i, binding energy and logP values when compared to standard RdRp inhibitors, such as remdesivir (REM) (K i = 15.61 muM, logP = 2.2; binding energy = -6.95), a clinically approved RdRp inhibitor and nine other RdRp inhibitors. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
2 | Some of these compounds gave better K i, binding energy and logP values when compared to standard RdRp inhibitors, such as remdesivir (REM) (K i = 15.61 muM, logP = 2.2; binding energy = -6.95), a clinically approved RdRp inhibitor and nine other RdRp inhibitors. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
3 | Some of these compounds gave better K i, binding energy and logP values when compared to standard RdRp inhibitors, such as remdesivir (REM) (K i = 15.61 muM, logP = 2.2; binding energy = -6.95), a clinically approved RdRp inhibitor and nine other RdRp inhibitors. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
4 | Some of these compounds gave better K i, binding energy and logP values when compared to standard RdRp inhibitors, such as remdesivir (REM) (K i = 15.61 muM, logP = 2.2; binding energy = -6.95), a clinically approved RdRp inhibitor and nine other RdRp inhibitors. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
5 | Some of these compounds gave better K i, binding energy and logP values when compared to standard RdRp inhibitors, such as remdesivir (REM) (K i = 15.61 muM, logP = 2.2; binding energy = -6.95), a clinically approved RdRp inhibitor and nine other RdRp inhibitors. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
6 | Some of these compounds gave better K i, binding energy and logP values when compared to standard RdRp inhibitors, such as remdesivir (REM) (K i = 15.61 muM, logP = 2.2; binding energy = -6.95), a clinically approved RdRp inhibitor and nine other RdRp inhibitors. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |
7 | Molecular dynamics simulations (MDSs) showed that the selected RdRp-IBD complexes were highly stable compared to the native RdRp and RdRp-REM complex during 100 ns time periods. | remdesivir | ORF1a polyprotein;ORF1ab polyprotein | Severe acute respiratory syndrome coronavirus 2 |