Table 2.
Results from the molecular docking; mean ΔG in kcal/mol of the top 5 docking poses (standard deviation, median) for miglitol (standard) and compounds 8 and 16
Enzyme | Miglitol | 8 | 16 |
---|---|---|---|
Geobacillus sp. (α-glucosidase) | −3.81 (0.11, −3.82) | −4.22 (0.05, −4.22) | −4.66 (0.31, −4.64) |
Baker’s yeast (α-glucosidase) | −3.62 (0.48, −3.30) | −4.21 (0.02, −4.20) | −4.50 (0.10, −4.49) |
Rice (β-glucosidase) | −5.12 (0.27, −5.01) | −5.53 (0.11, −5.52) | −5.32 (0.22, −5.39) |
White clover (α-galactosidase) | −4.81 (0.01, −4.82) | −5.34 (0.10, −5.32) | −5.56 (0.07, −5.57) |
E. coli (β-galactosidase) | −5.19 (0.17, −5.10) | −5.61 (0.15, −5.71) | −5.68 (0.14, −5.62) |