Fig. 3

Docking validation by redocking the ligands to their corresponding molecular targets as indicated by their PDB IDs i.e. a acetylcholinesterase (4EY7), b beta-secretase cleavage enzyme (2HM1), c monoamine oxidase (2Z5X) and d N-methyl-D-aspartate receptor receptor (1PBQ). The original conformation of each ligands is displayed in grey, stick while docked poses are represented in yellow stick