Table 5 The binding energy, amino acid residues, hydrogen bond interactions, and bond length of some ligands.
S/N | Docking score (Kcal/mol) | Amino acid residues | Hydrogen bond and bond length (Å) |
|---|---|---|---|
3 | − 8.0 | LYS745, VAL726, MET766, LEU718ALA743 | MET793 (2.4928) |
4 | − 8.3 | LEU718, LEU792, LYS745, LEU788, VAL726, ALA743, LEU844 | THR790 (2.3643) and GLN791 (2.94641) |
5 | − 7.6 | LEU718, LEU792, VAL726, ALA743, LEU844 | GLN791 (2.67635), THR790 (2.90563), LYS745 (1.93052), MET793 (3.27665) |
6 | − 7.9 | LEU718, MET766, LYS745, LEU788, VAL726, ALA743, LYS745 | MET793 (2.3529) |
8 | − 7.5 | LEU718, LEU788, VAL726, ALA743, LYS745 | MET793 (2.32446) |