Advertisement
Table 1 Inhibitory activities and binding energies of docked 2-phenoxypyrido[3,2-e][1,2,4]triazolo[1,5-a]pyrimidine derivatives and acarbose into the active site of α-glucosidase
| Name of synthesized derivatives | Free binding energy (kcal/mol) | Number of hydrogen bonds | Number of closest residues |
|---|---|---|---|
| 2a | − 8.12 | 1 | 10 |
| 3 | − 9.17 | 3 | 6 |
| 6a | − 9.76 | 1 | 7 |
| 6b | − 9.42 | 3 | 9 |
| 6d | − 9.64 | 3 | 8 |
| 6h | − 10.55 | 3 | 7 |
| Acarbose | − 10.56 | 10 | 10 |
