Table 4.
Ligands | Glide Gscore (kcal/mol) | Glide Energy (kcal/mol) | MMGBSA dg Bind (kcal/mol) |
---|---|---|---|
Results of reference LasR inhibitors | |||
8 | −10.24 | −53.28 | −75.43 |
10 | −10.17 | −55.49 | −80.50 |
6 | −10.10 | −52.53 | −75.53 |
13 | −10.06 | −56.90 | −79.33 |
14 | −10.01 | −56.38 | −79.76 |
4 | −9.95 | −52.45 | −74.45 |
17 | −9.28 | −56.20 | −76.42 |
Results of LasR inhibitors | |||
Articaine | −9.01 | −41.63 | −46.27 |
Sulfamerazine | −9.68 | −47.48 | −52.74 |
Sulfametopyrazine | −8.37 | −48.73 | −52.71 |
Sulfapyridine | −8.07 | −45.25 | −51.35 |
Sulfadiazine | −8.27 | −45.08 | −44.23 |
Sulfamethazine | −7.86 | −50.23 | −51.16 |