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

Derya Osmaniye; Begüm Nurpelin Sağlık; Serkan Levent; Yusuf Özkay; Zafer Asım Kaplancıklı; Gülhan Turan

doi:10.1515/znc-2022-0075

Article

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

Derya Osmaniye , Begüm Nurpelin Sağlık , Serkan Levent , Yusuf Özkay , Zafer Asım Kaplancıklı and Gülhan Turan

Published/Copyright: July 20, 2022

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From the journal Zeitschrift für Naturforschung C Volume 77 Issue 11-12

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

Corresponding author: Zafer Asım Kaplancıklı, Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Anadolu University, 26470 Eskişehir, Turkey, E-mail: zakaplan@anadolu.edu.tr

Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.
Research funding: None declared.
Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Supplementary Material

The online version of this article offers supplementary material (https://doi.org/10.1515/znc-2022-0075).

Received: 2022-04-01

Accepted: 2022-06-27

Published Online: 2022-07-20

Published in Print: 2022-11-25

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Supplementary Material

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https://doi.org/10.1515/znc-2022-0075

Keywords for this article

molecular docking; pyridine; selective MAO-B inhibitor; thiazolyl-hydrazone