Efficient, rapid, and high-yield synthesis of aryl Schiff base derivatives and their in vitro and in silico inhibition studies of hCA I, hCA II, AChE, and BuChE.

Autor: Özil M; Department of Chemistry, The Faculty of Arts and Sciences, Recep Tayyip Erdogan University, Rize, Türkiye., Balaydın HT; Education Faculty, Recep Tayyip Erdogan University, Rize, Türkiye., Dogan B; Department of Chemistry, Istanbul Technical University, Istanbul, Türkiye.; Department of Biochemistry, School of Medicine, Bahçeşehir University, Istanbul, Türkiye., Şentürk M; Pharmacy Faculty, Agri Ibrahim Cecen University, Agri, Türkiye., Durdagi S; Computational Biology and Molecular Simulations Laboratory, Department of Biophysics,  School of Medicine, Bahçeşehir University, Istanbul, Türkiye.; Molecular Therapy Lab, Department of Pharmaceutical Chemistry, School of Pharmacy, Bahçeşehir University, Istanbul, Türkiye.
Jazyk: angličtina
Zdroj: Archiv der Pharmazie [Arch Pharm (Weinheim)] 2024 Jul; Vol. 357 (7), pp. e2300266. Date of Electronic Publication: 2024 Apr 09.
DOI: 10.1002/ardp.202300266
Abstrakt: This study reports a rapid and efficient synthesis of four novel aryl Schiff base derivatives. Biological activity and molecular modeling studies were conducted to evaluate the inhibitory effects of these compounds on human carbonic anhydrases (hCA) and cholinesterases. The results indicate that the triazole-ring-containing compounds have strong inhibitory effects on hCA I, hCA II, acetylcholinesterase (AChE), and butyrylcholinesterase (BuChE) targets. Besides comparing the Schiff bases synthesized in our study to reference molecules, we conducted in silico investigations to examine how these compounds interact with their targets. Our studies revealed that these compounds can occupy binding sites and establish interactions with crucial residues, thus inhibiting the functions of the targets. These findings have significant implications as they can be utilized to develop more potent compounds for treating the diseases that these target proteins play crucial roles in or to obtain drug precursors with enhanced efficacy.
(© 2024 The Authors. Archiv der Pharmazie published by Wiley-VCH GmbH on behalf of Deutsche Pharmazeutische Gesellschaft.)
Databáze: MEDLINE
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