Table 2.
Comparison of protein-ligand interaction point of contacts.
| Sr. no. | Compound | Point of contact |
|---|---|---|
| 1. | O6K (α-ketoamide inhibitor) |
GLU166, HIS41, HIS164, HIS163, SER144, PHE140, MET165, and CYS145 (hydrogen bonds and water bridges), GLN189 |
| 2. | Terlipressin | GLU47, GLN189, GLU166 (Hydrogen bonds and water bridges) |
| 3. | Nelfinavir | GLN192, HIS41, HIS164, ASN142, GLU166 (Water bridges and H-bonding) |
| 4. | Tenofovir | GLN192, GLU166, GLY143, HIS41, THR190, CYS145: (little hydrophobic but majorly Water bridges and H-bonding) |
| 5. | Saquinavir | HIS164, GLN189, GLU166 (Water bridges and H-bonding) |
| 6. | Sofosbuvir | GLN189, GLU166 (Water bridges and H-bonding) |
| 7. | Lopinavir | MET49, HIS41, HIS164, GLU166,GLN189 (little hydrophobic but majorly H-bonding and Water bridges ) |
| 8. | Ritonavir | GLU166, GLY143 (H-bonding and Water bridges) |