TABLE 3.
Molecular docking affinity scores among the selected ligands with α-amylase and α-glucosidase enzymes.
| Ligand | Molecular docking affinity (kcal/mol) | |
|---|---|---|
| α-Amylase (4GQR) | α-Glucosidase (3TOP) | |
| Apigenin | −8.2 | −9.1 |
| Caffeic acid hexoside | −7.9 | −7.5 |
| Chicoric acid | −8.6 | −8.8 |
| Ganolucidic acid B | −8.4 | −8.4 |
| Icariside I | −7.9 | −8.4 |
| Kaempferol acetyl-hexoside | −7.7 | −9.1 |
| Kaempferol-3-O-pentoside | −7.6 | −9.2 |
| Kaempferol-deoxyhexosyl-hexoside | −9.0 | −8.7 |
| Manniflavanone | −8.8 | −9.2 |
| Methyl trigalloyl hexose | −8.8 | −9.5 |
| Myricetin-O-hexosyl-O-hexuronoside | −9.1 | −9.4 |
| Quercetin-3-O-pentoside | −7.8 | −8.8 |
| Quercetin-O-acetyl-hexoside | −8.1 | −9.3 |
| Rutin | −9.3 | −9.6 |
| Ursolic acid | −9.4 | −8.6 |
| Acarbose | - | −7.6 |
| Pioglitazone | −7.9 | - |