Table 6 Molecular docking results of designed ligands against MAO-A and MAO-B
Sl No | Compound code | Binding Energy (-kcal/mol) | |
|---|---|---|---|
MAO-A (2Z5X) | MAO-B (1S3E) | ||
1 | MS1 | 53.32709 | 64.07646 |
2 | MS2 | 56.13624 | 76.78583 |
3 | MS3 | 114.89789 | 73.23463 |
4 | MS4 | 53.86427 | 81.47093 |
5 | MS5 | 79.13080 | 76.61092 |
6 | MS6 | 71.0277 | 72.67619 |
7 | MS7 | 76.74543 | 84.53666 |
8 | MS8 | 60.03169 | 110.21145 |
9 | Harmine/HRP | 185.06253 | 169.62558 |