Table 4.
Molecular docking results of quinoline and isoindoline–polycyclic compounds with their respective target proteins.
| Sl. No. | Compound | Binding Affinity (kcal/mol) | Total No. of Intermolecular Interactions | Total No. of Hydrogen Bonds | |||
|---|---|---|---|---|---|---|---|
| AG | AM | AG | AM | AG | AM | ||
| 1 | 1 | −7.6 | −6.6 | 7 | 11 | 7 | 4 |
| 2 | 2 | −9.5 | −7.9 | 17 | 9 | 6 | 2 |
| 3 | 3 | −10.2 | −10.1 | 6 | 11 | 2 | 2 |
| 4 | 4a | −10.4 | −8.8 | 12 | 5 | 2 | 1 |
| 5 | 4b | −9.7 | −8.7 | 13 | 10 | 5 | 3 |
| 6 | 4c | −10.1 | −8.5 | 11 | 13 | 2 | 0 |
| 7 | 6 | −7.2 | −6.9 | 6 | 9 | 2 | 1 |
| 8 | 7a | −9.2 | −8.5 | 12 | 7 | 4 | 1 |
| 9 | 7b | −9.1 | −7.8 | 15 | 9 | 7 | 4 |
| 10 | 7c | −9.1 | −8.3 | 6 | 8 | 1 | 3 |
| 11 | 7d | −10.9 | −9.0 | 17 | 10 | 7 | 3 |
| 12 | 7a | −9.8 | −8.8 | 13 | 9 | 5 | 3 |
| 13 | 8a | −10.3 | −8.6 | 14 | 11 | 4 | 3 |
| 14 | 8b | −10.5 | −8.8 | 7 | 11 | 3 | 2 |
| 15 | 8c | −10.0 | −8.7 | 14 | 11 | 6 | 4 |
| 16 | 8d | −9.9 | −8.8 | 9 | 8 | 3 | 3 |
| 17 | Acarbose | −8.6 | −6.0 | 10 | 6 | 9 | 6 |
Note: AG: α-glycosidase, AM: α-amylase.