Table 3.
Title | Binding free energy (Δkcal/mol) |
---|---|
Flumazenil* | −7.016 |
Dihydrojoubertiamine | −6.497 |
Δ7-mesembrenone | −5.882 |
O-methyldehydrojoubertiamine | −5.756 |
4'-O-demethylmesembrenol | −5.727 |
Mesembranol | −5.214 |
Epimesembrenol | −5.208 |
Δ7-mesembrenone isomer | −5.033 |
(-)-Mesembrine | −4.722 |
O-methyldehydrojoubertiamine | −3.232 |
Positive control reference ligand.