Table 6 The amino acid residues involved in polar interaction, the number of inter-model hydrogen bonds and the docking score of lopinavir and ritonavir upon binding to the 3D PDB download of the SARS-CoV main proteinase (PDB 6m2n)
Compounds | Polar interactions | Inter-model hydrogen bonds | Docking score (Kcal/mol) |
|---|---|---|---|
Lopinavir | 142-ASN, 189-GLN | 16 | − 7.8 |
Ritonavir | 166-GLU, 189-GLN | 20 | − 6.8 |