一些融合杂环的合成、α-葡萄糖苷酶抑制及对接研究

M. Arias, Paola L. Ramírez-Hernández, Esmeralda C. García-Barrera, Mario Perez Venegas, Christian Montiel Valenciana, L. Rodríguez-Pascual
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引用次数: 1

摘要

为了寻找可能作为α-葡萄糖苷酶抑制剂的杂环体系,我们合成了一组含氢吖啶酮4-5、羟蒽酮6、喹唑酮8、苯甲酰酞酰亚胺9和异喹诺酮10-11的杂环。对这些化合物进行酶抑制,并与对照抑制剂阿卡波糖进行比较,观察到对苯甲酰酞酰亚胺9和异喹诺酮二酮11的抑制作用。根据它们的抑制活性,选择两个候选体进行对接分析,以确定它们的最佳位置,以及配体与残基之间的相互作用。建立了对比分析,以确定所发现的相互作用,对候选抑制剂的抑制作用和对参比抑制剂阿卡波糖的相互作用之间的潜在相关性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Synthesis, α-Glucosidase Enzymatic Inhibition and Docking Studies of some Fused Heterocycles
In the search of heterocyclic ring systems potentially useful as α-glucosidase inhibitors we have synthesized a set of heterocycles bearing hydroacridone 4-5, hydroxanthone 6, quinazolone 8, benzoyl phtalimide 9 and isoquinolone 10-11. These compounds under study were subjected to enzyme inhibition and compared against reference inhibitor acarbose observing potent inhibition for benzoyl phtalimide 9, and isoquinolone dione 11. Based on their inhibition activity, both candidates were selected for docking analysis to determine their best posing, and the interactions involved between the ligand and the residues. A comparative analysis was established to determine the potential correlation between the interactions found, the inhibition observed for the candidates and the interactions observed for the reference inhibitor acarbose.
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