Table 2 Docking interaction of compounds in the active pocket of α-glucosidase.
Compounds | Ligand’s Atom | Residue’s Atom | Types of Interactions | Bond Distance (Å) |
|---|---|---|---|---|
2a | N1 6-ring | OD2-ASP352 CE1-HIS280 | HBD π-H | 2.89 3.91 |
2b | N1 | OE2-GLU277 | HBD | 3.23 |
2c | N1 O36 | OD2-ASP352 OE2-GLU411 | HBD HBD | 3.22 2.81 |
2e | 6-ring 6-rinh | NE2-HIS351 6-ring-PHE303 | π-H π-π | 3.97 3.75 |
2f | O42 | OE2-GLU411 | HBD | 2.57 |
2g | N1 N5 | OE1-GLU277 OD2-ASP352 | HBD HBD | 2.85 2.95 |
2h | N5 O37 S4 | OE2-GLU277 OE1-GLN279 NE2-GLN353 | HBD HBD HBA | 2.79 2.78 3.40 |
2k | N5 | OE2-GLU277 | HBD | 3.25 |
2L | N1 | OD2-ASP352 | HBD | 2.93 |
3i | N1 | OD2-ASP352 | HBD | 2.84 |
3j | N1 N5 | OD2-ASP352 OD2-ASP352 | HBD HBD | 2.74 3.25 |
3m | N1 | OE2-GLU411 | HBD | 2.88 |
3n | N5 O36 | OE2-GLU277 NE2-HIS112 | HBD HBA | 3.21 3.03 |
4o | N34 O55 6-ring | OE1-GLN279 OE2-GLU411 CE1-HIS280 | HBD HBD π-H | 2.59 2.76 3.90 |
