Application | Comment | Organism |
---|---|---|
analysis | virtual screening method for inhibitors based on consensus scoring and ligand efficiency indices, which allows the combination of pharmacodynamic and pharmacokinetic properties into unique measures | influenza A virus |
Protein Variants | Comment | Organism |
---|---|---|
H274Y | mutant resistant to oseltamivir, used for design of multi-binding-site inhibitors | influenza A virus |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
2-deoxy-2,3-dehydro-N-acetylneuraminic acid | - |
influenza A virus | |
additional information | construction of homologous and heterologous dimers and trimers and trimers of inhibitors such as oseltamivir(R)-CH2-(R)oseltamivir, oseltamivir(R)-O-zanamivir, oseltamivir(R)-CH2-2-deoxy-2,3-dehydro-N-acetylneuraminic acid and calculation of molecular properties and ligand efficiency values | influenza A virus | |
oseltamivir | - |
influenza A virus | |
peramivir | - |
influenza A virus | |
zanamivir | - |
influenza A virus |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
influenza A virus | - |
avain virus type H5N1 | - |