Table 2 Data from docking analyses and free energies of binding of different ligands for both receptor proteins.

From: In silico and in vitro studies confirm Ondansetron as a novel acetylcholinesterase and butyrylcholinesterase inhibitor

 

Docking score (kcal/mol)

MMGBSA (kcal/mol)

AChE

Ondansetron

− 6.364

− 50.88

Tacrine

− 6.563

− 58.15

Rivastigmine

− 5.616

− 47.43

BChE

Ondansetron

− 6.954

− 54.14

Tacrine

− 7.171

− 58.44

Rivastigmine

− 5.282

− 22.96