New thiazolylhydrazone derivatives as potent monoamine oxidase and aromatase inhibitors

2-Thiazolylhydrazone nucleus carrying various structures have been known with inhibitory effects on monoamine oxidase (MAO) enzymes. In this study, twenty-one novel 2-(2-((6-methoxynaphthalen-2-yl)methylene)hydrazinyl)thiazole derivatives (2a-u) were synthesized and investigated for their MAO and aromatase inhibitory effects. As a result of the study, compound 2j carrying 3-nitrophenyl residue on the thiazole ring extremely inhibited MAO-A, and compound 2t carrying phenyl and methyl on thiazole ring was found to inhibit MAO-A both very strongly and selectively. Compounds 2k and 2q exhibited selective and high inhibitory potential on MAO-B. Compounds 2q and 2u showed satisfying inhibition on aromatase enzyme. Molecular docking and molecular dynamic simulation studies were carried out with the aforementioned compounds and MAO and aromatase enzymes , and findings were correlated with the experimental results.