Table 7. Interactions of terfenadine with the active site of RdRp.
|
Functional group |
Residue |
Bond |
Distance (Å) |
|
Alcohol |
Asp760 |
H-bond (D-B) |
2.17 |
|
‘Phenyl |
Asp618 |
Electrostatic/Pi-anion |
4.62 |
|
Butyl |
Asp760 |
Carbon hydrogen bond |
3.54 |
|
‘’Phenyl |
Asp761 |
Electrostatic/Pi-anion |
3.59 |
For amino acid, A: H-bond acceptor, D: H-bond donor, B: Backbone interaction, S: Sidechain interaction. Light green: Carbon hydrogen bond, Green: H-bond, Orange: Electrostatic interactions, Pink: Hydrophobic interactions, RdRp: RNA-dependent RNA polymerase