以吲哚和吡唑为骨架的螺氧化吲哚类似物作为乙酰胆碱酯酶抑制剂的构建。
Construction of Spirooxindole Analogues Engrafted with Indole and Pyrazole Scaffolds as Acetylcholinesterase Inhibitors.
作者信息
Islam Mohammad Shahidul, Al-Majid Abdullah Mohammed, Azam Mohammad, Verma Ved Prakash, Barakat Assem, Haukka Matti, Elgazar Abdullah A, Mira Amira, Badria Farid A
机构信息
Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.
Department of Chemistry, Banasthali Vidyapith, Banasthali 304022, Rajasthan, India.
出版信息
ACS Omega. 2021 Nov 12;6(47):31539-31556. doi: 10.1021/acsomega.1c03978. eCollection 2021 Nov 30.
Twenty-five new hits of spirooxindole analogs engrafted with indole and pyrazole scaffolds were designed and constructed a [3+2]cycloaddition (32CA) reaction starting from three components: new chalcone-based indole and pyrazole scaffolds , substituted isatins , and secondary amines . The potency of the compounds were assessed in modulating cholinesterase (AChE) activity using Ellman's method. Compounds and showed the strongest acetylcholine esterase inhibition (AChEI) with IC values of 24.1 and 27.8 μM, respectively. Molecular docking was used to study their interaction with the active site of hAChE.
设计并构建了25种接有吲哚和吡唑支架的新型螺环氧化吲哚类似物，该反应从三种组分开始，通过[3+2]环加成（32CA）反应得到：新型查尔酮基吲哚和吡唑支架、取代异吲哚酮和仲胺。使用埃尔曼方法评估了这些化合物调节胆碱酯酶（AChE）活性的效力。化合物 和 表现出最强的乙酰胆碱酯酶抑制作用（AChEI），IC值分别为24.1和27.8 μM。使用分子对接研究了它们与hAChE活性位点的相互作用。
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