Table 1.
Results of docking simulations of two active phlorotannins (DK and PHB) with myostatin (PDB ID: 3HH2). DHT is dihydrotestosterone as a positive control.
| Receptor (Binding Site) |
Ligand | Binding Energy (kcal/mol) |
-CDOCK Interaction Energy (kcal/mol) |
|---|---|---|---|
| Myostatin (3HH2-Active site 1) |
DK | −146.06 | 50.77 |
| PHB | −109.90 | 42.44 | |
| DHT | −50.00 | 24.07 | |
| Myostatin (3HH2-Active site 2) |
DK | −118.99 | 40.01 |
| PHB | −102.71 | 49.42 | |
| DHT | −48.16 | 18.28 | |
| Myostatin (3HH2-Active site 2) |
DK | −126.49 | 47.71 |
| PHB | −143.74 | 57.70 | |
| DHT | −51.51 | 32.07 | |
| Myostatin (3HH2-Active site 2) |
DK | −108.64 | 38.27 |
| PHB | −125.90 | 54.60 | |
| DHT | −40.08 | 18.76 |