新型席夫碱的合成及 DNA 酶 I 抑制活性研究。
Synthesis and DNase I Inhibitory Properties of New Squaramides.
机构信息
Department of Chemistry, Faculty of Pharmacy, Medical University of Sofia, 2 Dunav Str., 1000 Sofia, Bulgaria.
Institute of Mineralogy and Crystallography "Akad. Ivan Kostov", Bulgarian Academy of Sciences, Acad. G. Bonchev Bl. 107, 1113 Sofia, Bulgaria.
出版信息
Molecules. 2023 Jan 5;28(2):538. doi: 10.3390/molecules28020538.
Three new monosquaramides (-) were synthesized, characterized by IR, NMR and X-ray, and evaluated for inhibitory activity against deoxyribonuclease I (DNase I) and xanthine oxidase (XO) in vitro. The target compounds inhibited DNase I with IC values below 100 μM, being at the same time more potent DNase I inhibitors than crystal violet, used as a positive control. 3-Ethoxy-4-((1-(pyridin-3-yl)propan-2-yl)amino)cyclobut-3-ene-1,2-dione () stood out as the most potent compound, exhibiting a slightly better IC value (48.04 ± 7.98 μM) compared to the other two compounds. In order to analyze potential binding sites for the studied compounds with DNase I, a molecular docking study was performed. Compounds - are among the most potent small organic DNase I inhibitors tested to date.
合成了三种新的单 squaramide（-），通过 IR、NMR 和 X 射线进行了表征，并评估了它们对脱氧核糖核酸酶 I（DNase I）和黄嘌呤氧化酶（XO）的体外抑制活性。目标化合物对 DNase I 的抑制活性低于 100 μM，同时比用作阳性对照的结晶紫具有更强的 DNase I 抑制活性。3-乙氧基-4-((1-(吡啶-3-基)丙-2-基)氨基)环丁-3-烯-1,2-二酮（）表现出最强的抑制活性，其 IC 值（48.04 ± 7.98 μM）略优于另外两种化合物。为了分析研究化合物与 DNase I 的潜在结合位点，进行了分子对接研究。化合物-是迄今为止测试过的最有效的小分子 DNase I 抑制剂之一。
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