苯并恶唑杂化类似物的合成、生物学和计算评估，作为潜在的抗阿尔茨海默氏症药物。

IF 3.2 4区医学 Q3 CHEMISTRY, MEDICINAL

Future medicinal chemistry Pub Date : 2024-09-13 DOI:10.1080/17568919.2024.2393569

Mohamed S Othman,Rafaqat Hussain,Fazal Rahim,Hayat Ullah,Shoaib Khan,Muhammad Taha,Mohamed A Fareid,Anas T Altaleb,Shimaa M Aboelnaga,Syed Adnan Ali Shah

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引用次数: 0

摘要

材料与方法：以 2-aminophenol 为起始材料，在不同步骤中与不同试剂发生反应，得到含双席夫碱基的双苯并恶唑类似物。采用核磁共振和 HREI-MS 技术进行表征。与多奈哌齐相比，所有衍生物都显示出不同范围的活性，对乙酰胆碱酯酶（AChE）的 IC50 值为 1.10 ± 0.40-24.50 ± 0.90 μM，对丁酰胆碱酯酶（BuChE）的 IC50 值为 1.90 ± 0.70-28.60 ± 0.60 μM。在这两种情况下，类似物-3 的药效最强。分子对接探索了支架与目标酶受体位点之间的相互作用模式：这项研究为优化和开发强效胆碱酯酶抑制剂提供了有前途的方法。

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Synthesis, biological and computational evaluation of benzoxazole hybrid analogs as potential anti-Alzheimer's agents.

Aim: Current study aims exploration of bis-benzoxazole bearing bis-Schiff base scaffolds (1-16) as anti-Alzheimer's agents.Materials & methods: 2-aminophenol is used as starting materials which react with different reagents in different step to give us bis-benzoxazole bearing bis-Schiff base analogs. NMR and HREI-MS techniques were used for characterization. All derivatives demonstrated varied range of activities with IC50 values 1.10 ± 0.40-24.50 ± 0.90 μM against acetylcholinesterase (AChE) and 1.90 ± 0.70-28.60 ± 0.60 μM against butyrylcholinesterase (BuChE) in contrast to donepezil. In both cases, analog-3 was found most potent. Molecular docking explored modes of interactions between scaffolds and receptor sites of targeted enzymes.Conclusion: This study offering promising approach for optimization and development of potent inhibitors of cholinesterase enzymes.

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来源期刊

Future medicinal chemistry CHEMISTRY, MEDICINAL-

CiteScore

5.80

自引率

2.40%

发文量

118

审稿时长

4-8 weeks

期刊介绍： Future Medicinal Chemistry offers a forum for the rapid publication of original research and critical reviews of the latest milestones in the field. Strong emphasis is placed on ensuring that the journal stimulates awareness of issues that are anticipated to play an increasingly central role in influencing the future direction of pharmaceutical chemistry. Where relevant, contributions are also actively encouraged on areas as diverse as biotechnology, enzymology, green chemistry, genomics, immunology, materials science, neglected diseases and orphan drugs, pharmacogenomics, proteomics and toxicology.