Synthesis of new derivatives containing pyridine, investigation of MAO inhibitory activities and molecular docking studies

Abstract

In this study, novel pyridine-containing thiazolyl hydrazone derivatives were synthesized. Structure determinations of the compounds were performed using ¹H NMR, ¹³C NMR and HRMS techniques. The biological activities of the compounds were evaluated against MAO enzymes by in vitro fluorometric method. As a result of activity studies, compound 3a showed selective inhibitory activity against MAO-B enzyme with IC₅₀ = 0.088 + 0.003 µM. The selectivity index of this compound is greater than 1136. Molecular docking studies were carried out using 2V5Z crystal. It has been observed that docking studies and activity studies are in harmony.

Keywords: molecular docking; pyridine; selective MAO-B inhibitor; thiazolyl-hydrazone.