Work

New Diacetic Acids Containing Quinazolin‐4(3 H )‐one: Synthesis, Characterization, Anticholinergic Properties, DFT Analysis and Molecular Docking Studies

Year: 2023

Type: article

Abstract: In this study, a new series of quinazolin‐4(3 H )‐ones, which constitute an important part of biologically active heterocyclic compounds, were synthesized with excellent yields (99‐94 %). The structures of the synthesized compounds ( 1 – 14 ) were characterized with Fourier‐transform infrared (FTIR), nuclear magnetic resonance ( 1 H NMR – 13 C NMR), and high‐resolution mass spectroscopy (HRMS). Acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibition properties were examined to evaluate the anticholinergic properties of the synthesized compounds. For AChE, molecules showed IC 50 in ranging of 16.27–9.12 μM and K i s in ranging of 19.20±0.68–4.83±0.19 μM. For BChE, molecules showed IC 50 in ranging of 16.77–8.50 μM and K i s in ranging of 10.35±2.15–3.38±0.25 μM. Molecular docking was performed to determine the predicted interactions between the synthesized molecules and enzymes. Additionally, Density‐functional theory (DFT) studies were also carried out to clarify the electronic structures of compounds.

Source: ChemistrySelect

DOI: 10.1002/slct.202205039

Authors: Feyzi Sinan Tokalı, Rüya Sağlamtaş, Aykut Öztekin, Ümit Yırtıcı, Veysel Çomaklı

Institutions: Kafkas University, Ağrı İbrahim Çeçen University, Kırıkkale University

Language: English

Topic: Cholinesterase and Neurodegenerative Diseases

Subfield: Pharmacology (medical)

Field: Medicine

Domain: Health Sciences

Open Access status: bronze

Funder: Kafkas Üniversitesi

Award: G2030611430