Table 8 Docking Scores of first three best docked posses of Compound 2a, 2b, 2d and 2g with UDP-N-acetylmuramate/l-alanine ligase
Target protein | Compound | Ligand modes | Binding affinity | rmsd/ub | rmsd/lb |
|---|---|---|---|---|---|
UDP-N-acetylmuramate/l-alanine ligase | 2a | 0 | − 6.8 | 0 | 0 |
2a | 1 | − 6.7 | 28.075 | 26.052 | |
2a | 2 | − 6.6 | 28.511 | 26.881 | |
2b | 0 | − 7.6 | 0 | 0 | |
2b | 1 | − 7.0 | 28.764 | 27.311 | |
2b | 2 | − 7.0 | 28.373 | 27.402 | |
2d | 0 | − 7.3 | 0 | 0 | |
2d | 1 | − 7.0 | 28.595 | 27.20 | |
2d | 2 | − 7.0 | 28.136 | 26.504 | |
2g | 0 | − 7.1 | 0 | 0 | |
2g | 1 | − 6.9 | 7.342 | 2.41 | |
2g | 2 | − 6.8 | 3.16 | 2.568 |