评价2,3-二氢喹唑啉-4(1H)- 1衍生物作为胆碱酯酶抑制剂及其抗氧化活性:体外、硅和动力学研究

IF 1 4区化学 Q4 CHEMISTRY, MULTIDISCIPLINARY

Journal of The Serbian Chemical Society Pub Date : 2023-01-01 DOI:10.2298/jsc211106005b

O. Babatunde, S. Hameed, Kingsley A. Mbachu, F. Saleem, S. Chigurupati, A. Wadood, Rehman Ur, V. Venugopal, Khalid M Khan, M. Taha, O. Ekundayo, M. Khan

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引用次数: 0

摘要

为了寻找有效的胆碱酯酶抑制剂和抗氧化剂，通过体外乙酰胆碱酯酶(AChE)和丁基胆碱酯酶(BChE)的抑制和自由基(DPPH和ABTS)的清除活性，对合成衍生物二氢喹唑啉-4(1H)- 1-38作为潜在的抗阿尔茨海默病药物进行了评估。这主要是基于芳基部分的不同取代基，对酶的抑制潜力和自由基清除能力有显著影响。大多数活性化合物的动力学研究显示对乙酰胆碱酯酶具有非竞争性抑制模式和对BChE酶的竞争性抑制模式。此外，还进行了分子模拟研究，以研究喹唑啉酮衍生物与这两种酶的活性位点可能的结合相互作用。

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Evaluation of derivatives of 2,3-dihydroquinazolin-4(1H)-one as inhibitors of cholinesterases and their antioxidant activity: In vitro, in silico, and kinetics studies

In search of potent inhibitors of cholinesterase enzymes and antioxidant agents, synthetic derivatives dihydroquinazolin-4(1H)-one 1-38 were evaluated as potential anti-Alzheimer agents through in vitro acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) inhibitions and radical (DPPH and ABTS) scavenging activities. The (SAR) was mainly based on the different substituents at the aryl part which showed a significant effect on the inhibitory potential of enzymes and radical scavenging activities. The kinetic studies of most active compounds showed a noncompetitive mode of inhibition for AChE and a competitive mode of inhibition for the BChE enzyme. Additionally, molecular modeling studies were carried out to investigate the possible binding interactions of quinazolinone derivatives with the active site of both enzymes.

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来源期刊

Journal of The Serbian Chemical Society 化学-化学综合

CiteScore

1.80

自引率

0.00%

发文量

审稿时长

1 months

期刊介绍： The Journal of the Serbian Chemical Society -JSCS (formerly Glasnik Hemijskog društva Beograd) publishes articles original papers that have not been published previously, from the fields of fundamental and applied chemistry: Theoretical Chemistry, Organic Chemistry, Biochemistry and Biotechnology, Food Chemistry, Technology and Engineering, Inorganic Chemistry, Polymers, Analytical Chemistry, Physical Chemistry, Spectroscopy, Electrochemistry, Thermodynamics, Chemical Engineering, Textile Engineering, Materials, Ceramics, Metallurgy, Geochemistry, Environmental Chemistry, History of and Education in Chemistry.