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5-羟基-2-{[(2-甲基丙基)亚氨基]甲基}苯酚盐的合成、晶体结构、生物及对接研究。

Synthesis, crystal structure, biological and docking studies of 5-hydroxy-2-{[(2-methylpropyl)iminio]methyl}phenolate.

机构信息

Chemistry Department, School of Advanced Sciences, Vellore Institute of Technology, Chennai-127, India.

出版信息

Future Med Chem. 2024;16(19):1983-1997. doi: 10.1080/17568919.2024.2389763. Epub 2024 Sep 11.

DOI:10.1080/17568919.2024.2389763
PMID:39258968
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11486094/
Abstract

Schiff base compounds are potential drugs. A Schiff base compound prepared by condensing 2,4-dihydroxy benzaldehyde and isobutylamine was characterized for structure, thermal, physicochemical and biological properties. The keto-enol tautomerism and azomethine functionality enhances electron delocaliZation and biological activity. The compound showed good antibacterial and antifungal activity at 40 μg/ml against bacteria such as and and fungi like and . The docking study exhibits a moderate binding affinity for the GyrB protein in with a binding energy of -4.26 kcal/mol. The compound exhibits enhanced biological activity and suppression of cell growth at concentrations as low as 30 μg/ml. The IC for MFC-7 was found to be 41.5 μg/ml.

摘要

席夫碱化合物是潜在的药物。通过缩合 2,4-二羟基苯甲醛和异丁胺制备的席夫碱化合物的结构、热、物理化学和生物学性质进行了表征。酮-烯醇互变异构和亚胺官能团增强了电子离域和生物活性。该化合物在 40μg/ml 时对 、 等细菌和 、 等真菌表现出良好的抗菌和抗真菌活性。对接研究表明,该化合物与 中的 GyrB 蛋白具有中等的结合亲和力,结合能为-4.26kcal/mol。该化合物在低至 30μg/ml 的浓度下表现出增强的生物活性和抑制细胞生长的作用。对 MFC-7 的 IC 为 41.5μg/ml。

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