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

Table 4.

Docking scores attained from docking XP scores (in silico) on serotonin transporter (5-HT).

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.