Table 2. Estimated binding energies from Vina molecular docking.
Protein | PDB ID | Reference Ligand | Binding Energy (kcal/mol) | |
---|---|---|---|---|
Curcumin | Reference Ligand | |||
BACE1 | 2QP8 | SCH734723 | -8.5 | 10 |
GSTA1 | 4HJ2 | Chlorambucil | -9.6 | -7.5 |
GSTO1 | 4YQM | C1-27 | -8.6 | -6.6 |
KEAP1 | 6TYM | 08A | -8.6 | -9.2 |
MAOA | 2Z5X | Harmine | -9.2 | -8.7 |