基于噻唑的衍生物作为潜在乙酰胆碱酯酶抑制剂的合成与生物学评价
Synthesis and Biological Evaluation of Thiazole-Based Derivatives as Potential Acetylcholinesterase Inhibitors.
作者信息
Hemaida Aya Y, Hassan Ghada S, Maarouf Azza R, Joubert Jacques, El-Emam Ali A
机构信息
Department of Medicinal Chemistry, Faculty of Pharmacy, Mansoura University, Mansoura 35516, Egypt.
Pharmaceutical Chemistry, School of Pharmacy, University of the Western Cape, Private Bag X17, Bellville 7535, South Africa.
出版信息
ACS Omega. 2021 Jul 19;6(29):19202-19211. doi: 10.1021/acsomega.1c02549. eCollection 2021 Jul 27.
Nineteen new thiazole-based derivatives were synthesized and their structures characterized with analytical and spectral data. The assessment of their acetylcholinesterase (AChE) inhibitory activity revealed that compounds and produced potent AChE inhibitory activities with IC values of 103.24 and 108.94 nM, respectively. Compounds , , , , , , and displayed moderate activity with 25-50% relative potency compared to the known potent AChE inhibitor donepezil. Molecular docking studies of the active compounds docked within the active site cavity of AChE showed a binding orientation similar to that of donepezil, with good predicted binding affinities. These compounds could therefore be considered as potential lead compounds for the development of new and potentially improved AChE inhibitors.
合成了19种新型噻唑基衍生物，并通过分析和光谱数据对其结构进行了表征。对它们的乙酰胆碱酯酶（AChE）抑制活性的评估表明，化合物 和 具有强效的AChE抑制活性，IC值分别为103.24和108.94 nM。与已知的强效AChE抑制剂多奈哌齐相比，化合物 、 、 、 、 、 和 表现出中等活性，相对效力为25 - 50%。对活性化合物在AChE活性位点腔内进行分子对接研究，结果显示其结合取向与多奈哌齐相似，预测结合亲和力良好。因此，这些化合物可被视为开发新型且可能更有效的AChE抑制剂的潜在先导化合物。
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