Table 5 Evaluation of MM/GBSA free binding energies of the selected compounds.
Complexes | Δ G Bind | Δ G Coulomb | Δ G Covalent | Δ G Lipo | Δ G Bind Solv | Δ G Bind vdW |
|---|---|---|---|---|---|---|
SA4 | -82.21 | -25.93 | 6.43 | -61.44 | 24.22 | -24.51 |
SA12 | -69.72 | -9.87 | 0.27 | -47.38 | 20.27 | -32.77 |
SA15 | -80.40 | -20.83 | 3.76 | -60.78 | 22.14 | -23.50 |
Stigmasterol | -58.87 | -3.31 | 16.08 | -82.72 | 27.35 | -16.25 |
Donepezil (control) | -58.65 | -45.91 | 5.10 | -43.10 | 63.61 | -36.36 |
