Table 5.
Docking scores attained from docking XP scores (in silico) on Acetylcholinesterase enzyme.
| Title | Binding free energy (Δkcal/mol) |
|---|---|
| Galantamine* | −10.423 |
| Mesembranol | −9.879 |
| Epimesembrenol | −9.685 |
| Dihydrojoubertiamine | −9.089 |
| O-methyldehydrojoubertiamine | −9.066 |
| (-)-Mesembrine | −8.814 |
| Epimesembranol | −8.448 |
| Δ7-mesembrenone | −8.348 |
| O-Acetylmesembrenol | −8.076 |
| (+)-Mesembrine | −7.82 |
| (+)-Mesembrenone | −7.352 |
| Sceletium alkaloid A4 | −6.27 |
| (+)-Mesembrenone isomer | −6.054 |
| 4'-O-demethylmesembrenol | −4.64 |
| Sceletium alkaloid A4 isomer | −4.436 |
| Mesembrenol | −3.522 |
*
Positive control ligand.