Investigation of dual AChE/MAO inhibitory activities of new morpholine and piperazine structured compounds

Abstract

In this study, a series of new compounds containing piperazine and morpholine rings were synthesized. Characterization studies of the obtained compounds were carried out with the help of HRMS, 1H-NMR and 13C-NMR spectroscopic methods. Acetylcholinesterase (AChE) / Monoamine oxidase B (MAO-B) inhibitory potentials of the compounds were investigated using in silico and in vitro methods. Compound 3a was the compound with the highest inhibitory potential against AChE and MAO-B enzymes, with IC50=0.065±0.002 µM and IC50=0.072±0.003 µM values, respectively. Compounds 3a and 3b interacted with crucial amino acid residues of the hMAO-B (PDB ID: 2V5Z) and AChE (PDB ID: 4EY7) enzymes in the docking studies. Compounds 3a and 3b had the highest affinity for the AChE and MAO-B enzymes.

Keywords

• AChE
• MAO-B
• Piperazine
• Morpholine
• Docking

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