Pub. Date : 2022 Mar
PMID : 34986429
2 Functional Relationships(s)Download |
Sentence | Compound Name | Protein Name | Organism |
1 | Molecular dynamics (MD) simulations confirmed the stability of their Mpro complexes, with the MMPBSA binding free energy (DeltaGbind) ranging between -124 kJ/mol (glecaprevir) and -28.2 kJ/mol (velpatasvir). | glecaprevir | NEWENTRY | Severe acute respiratory syndrome-related coronavirus |
2 | Glecaprevir and nelfinavir (DeltaGbind = -95.4 kJ/mol) appear to be the most effective antiviral drugs against Mpro. | glecaprevir | NEWENTRY | Severe acute respiratory syndrome-related coronavirus |