双齿苯甲醛烟酸腙铜(II)配合物与牛血清白蛋白的相互作用:荧光光谱和分子对接方法。

IF 1.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Acta Chimica Slovenica Pub Date : 2023-03-20 DOI:10.17344/acsi.2022.7826
Adnan Zahirović, Irnesa Osmanković, Amar Osmanović, Aleksandar Višnjevac, Amina Magoda, Selma Hadžalić, Emira Kahrović
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引用次数: 2

摘要

制备了两种4-氯和4-二甲氨基苯甲醛烟酸腙铜配合物,并用元素分析、质谱、红外、电子能谱和电导法对其进行了表征。这些罕见的双(腙)铜(II)配合物是中性的配合物,铜(II)中心与两个单阴离子双齿O, n给体以烯醇-亚胺形式配位。研究了腙配体和相应的铜(II)配合物与CT DNA和牛血清白蛋白的相互作用。铜(II)配合物在结合DNA方面比原始腙稍微有效。结果表明,在腙配体上,取代基的性质对沟槽结合或适度嵌入的影响不大。相反,两种铜(II)配合物对BSA的亲和力有显著差异,这取决于取代基的性质,但在没有热力学数据的情况下,不能排除结合力性质的差异。与4-二甲基氨基类似物相比,带电子的4-氯取代基配合物对牛血清白蛋白具有更大的亲和力。这些发现在理论上得到了分子对接研究的支持。
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Interaction of Copper(II) Complexes of Bidentate Benzaldehyde Nicotinic Acid Hydrazones with BSA: Spectrofluorimetric and Molecular Docking Approach.

Two copper(II) complexes of 4-chloro- and 4-dimethylaminobenzaldehyde nicotinic acid hydrazones were prepared and characterized by elemental analysis, mass spectrometry, infrared and electron spectroscopy and conductometry. These rare examples of bis(hydrazonato)copper(II) complexes are neutral complex species with copper(II) center coordinated with two monoanionic bidentate O,N-donor hydrazone ligands coordinated in enol-imine form. The interaction of hydrazone ligands and corresponding copper(II) complexes with CT DNA and BSA was investigated. Copper(II) complexes are slightly effective in binding the DNA than pristine hydrazones. The results indicate groove binding or moderate intercalation which are not significantly affected by the nature of substituent at hydrazone ligands. On contrary, affinities of two copper(II) complexes toward BSA significantly differs and depends on the nature of the substituent, however in absence of thermodynamic data difference in nature of binding forces cannot be excluded. The complex bearing electron-withdrawing 4-chloro substituent has larger affinity toward BSA compared to 4-dimethyamino analogue. These findings were theoretically supported by molecular docking study.

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来源期刊
Acta Chimica Slovenica
Acta Chimica Slovenica 化学-化学综合
CiteScore
2.50
自引率
25.00%
发文量
80
审稿时长
1.0 months
期刊介绍: Is an international, peer-reviewed and Open Access journal. It provides a forum for the publication of original scientific research in all fields of chemistry and closely related areas. Reviews, feature, scientific and technical articles, and short communications are welcome.
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