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. 2020 Sep 2;25(17):3991. doi: 10.3390/molecules25173991

Table 1.

Docking result of each ligand in complex with FRB and FKBP5 receptors in human.

Ligands Docking Score (kcal/mol) Hydrogen Bond (s) Hydrophobic Interactions
Everolimus −11.86 Ser2035 Tyr57, Phe67, Phe77, Trp90, Phe130, Trp2101, Tyr2038, Phe2039, Tyr2105
Asiaticoside −11.98 Asp68, Val86, Phe2039 Phe77, Tyr113, Phe2039, Trp2101, Tyr2105, Phe2108
Asiatic acid −10.37 Asp68 Val86, Ile87, Phe77, Phe2039, Trp2101, Tyr2105, Phe2108