Research Article
Evaluating Andrographolide as a Potent Inhibitor of NS3-4A Protease and Its Drug-Resistant Mutants Using In Silico Approaches
Table 1
Structure of ligands with their molecular properties.
| | SN | Compound name | Properties | 2D images |
| | 1 | Andrographolide | Compound ID: 5318517
Molecular weight: 350.4492 (g/mol)
Molecular formula: C20H30O5
XLogP3: 2.2
Hydrogen bond donor count: 3
Hydrogen bond acceptor count: 5 | |
| | 2 | Asunaprevir | Compound ID: 16076883
Molecular weight: 748.28584 (g/mol)
Molecular formula: C35H46ClN5O9S
XLogP3: 4.9
Hydrogen bond donor count: 3
Hydrogen bond acceptor count: 10 | |
|
|
