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 |