Table 3 Free energy of binding values (Kcalmol−1) for ligand – AChE (at chair and boat form) systems obtained from flexible docking
Systems | Free energy of binding | |
|---|---|---|
Chair | Boat | |
D-AchE | −11.1 | −11.5 |
D1-AchE | −11.7 | −12.6 |
D2-AchE | −11.5 | −12.0 |
D3-AchE | −11.2 | −11.2 |
D4-AchE | −10.2 | −11.0 |
D5-AchE | −12.0 | −12.5 |