New Diacetic Acids Containing Quinazolin-4(3H)-one: Synthesis, Characterization, Anticholinergic Properties, DFT Analysis and Molecular Docking Studies
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Tarih
2023
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Wiley-V C H Verlag Gmbh
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
In this study, a new series of quinazolin-4(3H)-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 (H-1 NMR - C-13 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 IC50 in ranging of 16.27-9.12 mu M and K(i)s in ranging of 19.20 +/- 0.68-4.83 +/- 0.19 mu M. For BChE, molecules showed IC50 in ranging of 16.77-8.50 mu M and K(i)s in ranging of 10.35 +/- 2.15-3.38 +/- 0.25 mu M. 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.
Açıklama
Anahtar Kelimeler
Acetylcholinesterase; butyrylcholinesterase; DFT; inhibition; quinazolin-4(3H)-one
Kaynak
Chemistryselect
WoS Q Değeri
Q3
Scopus Q Değeri
Q3
Cilt
8
Sayı
10
