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©The Author(s) 2023.
World J Biol Chem. Jul 27, 2023; 14(4): 72-83
Published online Jul 27, 2023. doi: 10.4331/wjbc.v14.i4.72
Published online Jul 27, 2023. doi: 10.4331/wjbc.v14.i4.72
Table 1 Energy of affinity of ligand/receptor complexes obtained in molecular docking and characteristics of interactions between Remdesivir and angiotensin-converting enzyme 2
| Receptor/ligand complex | Energy of affinity (kcal/moL) |
| ACE2/Remdesivir | -8.8 |
| ACE2/Osetalmivir | -5.7 |
| ACE2/Atazanavir | -3.9 |
| Fibrinogen/Remdesivir | -8.5 |
| Fibrinogen/Osetalmivir | -6.3 |
| Fibrinogen/Atazanavir | -4 |
| Prothrombin/Remdesivir | -8.4 |
| Prothrombin/Osetalmivir | -6 |
| Prothrombin/Atazanavir | -4.1 |
- Citation: Pagliarin LG, de Oliveira LM, dos Anjos VNF, de Souza CBT, Peiter GC, Façanha Wendel C, Dillmann Groto A, Freire de Melo F, Teixeira KN. In silico evidence of Remdesivir action in blood coagulation cascade modulation in COVID-19 treatment. World J Biol Chem 2023; 14(4): 72-83
- URL: https://www.wjgnet.com/1949-8454/full/v14/i4/72.htm
- DOI: https://dx.doi.org/10.4331/wjbc.v14.i4.72