Table 2. MM/GBSA Binding Energy of (−)-Kusunokinin and Selective ARIs toward AKR1B1.
ligand | MM/GBSA binding energy (kcal/mol) |
---|---|
(−)-kusunokinin | –42.23 ± 0.09 |
zenarestat | –29.63 ± 0.10 |
minalrestat | –36.55 ± 0.07 |
epalrestat | –38.96 ± 0.08 |
ligand | MM/GBSA binding energy (kcal/mol) |
---|---|
(−)-kusunokinin | –42.23 ± 0.09 |
zenarestat | –29.63 ± 0.10 |
minalrestat | –36.55 ± 0.07 |
epalrestat | –38.96 ± 0.08 |