Table 4.
Title | Binding free energy (Δkcal/mol) |
---|---|
Citalopram* | −9.787 |
4-(3-methoxy-4-hydroxy-phenyl)-4-[2-acetylmethylamino)ethyl]cyclohexadienone | −8.791 |
O-methyldehydrojoubertiamine | −7.842 |
Epimesembrenol | −7.647 |
O-Acetylmesembrenol | −7.642 |
Dihydrojoubertiamine | −7.57 |
Epimesembrenol | −7.068 |
Δ7-mesembrenone | −6.665 |
Mesembranol | −6.658 |
Δ7-mesembrenone | −6.152 |
4'-O-demethylmesembrenol | −6.116 |
O-methyldehydrojoubertiamine | −5.32 |
(-)-Mesembrine | −3.743 |
Positive control ligand.