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. 2022 Mar 29;9:819753. doi: 10.3389/fnut.2022.819753

Table 3.

Docking scores attained from docking XP scores (in silico) on serotonin transporter (GABA-A).

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.