Table 1.
Molecular docking simulation results for the compounds and receptors.
| Compound | Binding Energy (kcal/mol) PDB ID: |
|||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
1UZF (cACE) |
2OC2 (cACE) |
6F9T (cACE) |
6F9U (cACE) |
6F9V (nACE) |
6EN5 (nACE) |
4YAY (AT1RI) |
4ZUD (AT1R) |
1R4L (ACE2) |
3KK6 (COX-1) |
6IIU (TXA2) |
2AZ5 (TNF-α) |
|
| Captopril | −7.6 | −7.0 | −7.1 | −7.4 | −7.3 | −7.1 | −7.1 | −7.2 | −7.6 | −7.4 | −7.3 | −7.4 |
| Catechin | −7.3 | −7.2 | −7.4 | −7.7 | −7.5 | −7.6 | −7.3 | −7.3 | −7.8 | −7.8 | −7.5 | −7.5 |
| 1 | −7.6 | −7.8 | −8.2 | −8.7 | −8.8 | −8.3 | −7.7 | −7.7 | −8.7 | −7.3 | −8.0 | −7.9 |
| 2 | −7.8 | −7.6 | −7.9 | −9.5 | −9.5 | −9.1 | −7.9 | −7.8 | −9.8 | −7.1 | −8.3 | −8.1 |
| 3 | −8.1 | −8.7 | −8.6 | −9.2 | −9.4 | −9.2 | −8.1 | −8.0 | −9.4 | −7.7 | −9.2 | −8.2 |
| 4 | −8.0 | −8.5 | −8.8 | −9.0 | −9.7 | −9.7 | −8.6 | −8.2 | −9.7 | −7.5 | −8.9 | −8.5 |
| 5 | −8.2 | −8.3 | −8.9 | −9.6 | −10.4 | −9.8 | −8.4 | −9.4 | −9.9 | −8.3 | −8.1 | −8.3 |
| 6 | −7.7 | −9.3 | −9.6 | −10.2 | −9.6 | −9.6 | −9.1 | −8.6 | −9.5 | −6.3 | −8.8 | −8.6 |