Table 4 Results of molecular docking experiments targeting antibacterial protein WAAG
Molecule | H-bonds | Bound amino acid residues of WAAG | Binding affinity (kcal/mol) |
|---|---|---|---|
| 16 | ASP-19, ILE-285, GLY-284, LYS-209, ALA-283, GLU-281, ARG-261, GLY-15, ARG-208, ARG-18, ARG-173, GLU-289 | -10.7 |
Uridine-5’-diphosphate-2-deoxy-2-fluoro-alpha- d-glucose (Control inhibitor) | |||
| 03 | ARG-173, LYS-209, ARG-261 | -8.6 |
Compound 1 | |||
| 02 | ARG-173, GLY-289 | -8.5 |
Compound 2 | |||
| 06 | PHE-13, ALA-99, SER-204, GLY-284, ILE-285, | -7.6 |
Compound 3 | |||
| 01 | PHE-13 | -7.0 |
Compound 4 | |||
| 07 | ARG-208, VAL-286, GLY-281, ALA-283, GLY-284, ILE-285, | -8.6 |
Compound 9 | |||
| 03 | GLY-15, GLY-281, ILE-285 | -8.1 |
Compound 10 |
