Spectroscopic analysis of 2-(5-mercapto-1,3,4-oxadiazol-2-yl)-6-methylquinolin-4-ol binding to blood plasma albumin.

IF 1.7 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Monatshefte Fur Chemie Pub Date : 2022-01-01 Epub Date: 2022-05-09 DOI:10.1007/s00706-022-02919-7

Karine R Grigoryan, Hasmik A Shilajyan, Ashkhen Zatikyan, Iskuhi Aleksanyan, Lilit Hambardzumyan

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引用次数: 0

Abstract

Binding of 2-(5-mercapto-1,3,4-oxadiazol-2-yl)-6-methylquinolin-4-ol (C1), a biologically active substance, to bovine blood plasma albumin (BSA) at 293, 298, and 303 K was studied using fluorescence (steady state, synchronous, excitation/emission matrix) and FT-IR spectroscopy methods. The experimental results showed that C1 causes fluorescence quenching of BSA through both static and dynamic quenching mechanisms. The thermodynamic parameters, enthalpy and entropy change, for the static quenching were calculated to be - 35.73 kJ mol^-1 and - 35.34 J mol^-1 K^-1, which indicated that hydrogen bonding and van der Waals interactions were the predominant intermolecular forces regulating C1-BSA interactions. Distance between donor and acceptor (2.14, 2.26, and 2.30 nm) depending on the temperature, obtained from intrinsic Förster resonance energy transfer calculations, revealed the static quenching mechanism of BSA fluorescence in 0-3.0 × 10^-5 mol/dm³ concentration range of C1. The micro-environmental and conformational changes in BSA structure, established by synchronous, excitation/emission matrices and FT-IR spectra showed the changes in the BSA secondary structure.

Graphical abstract:

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2-（5-巯基-1,3,4-恶二唑-2-基）-6-甲基喹啉-4-醇与血浆白蛋白结合的光谱分析。

使用荧光（稳态、同步、激发/发射矩阵）和FT-IR光谱方法研究了生物活性物质2-（5-巯基-1,3,4-恶二唑-2-基）-6-甲基喹啉-4-醇（C1）在293298和303K下与牛血浆白蛋白（BSA）的结合。实验结果表明，C1通过静态和动态猝灭机制引起BSA的荧光猝灭。计算了静态淬火的热力学参数焓和熵变为 - 35.73 kJ mol-1和 - 35.34J mol-1 K-1，这表明氢键和范德华相互作用是调节C1-BSA相互作用的主要分子间作用力。根据本征Förster共振能量转移计算，供体和受体之间的距离（2.14、2.26和2.30nm）取决于温度，揭示了BSA荧光在0-3.0时的静态猝灭机制 × 10-5mol/dm3浓度范围的C1。通过同步、激发/发射矩阵和FT-IR光谱建立的BSA结构的微环境和构象变化显示了BSA二级结构的变化。图形摘要：

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来源期刊

Monatshefte Fur Chemie 化学-化学综合

CiteScore

3.70

自引率

5.60%

发文量

116

审稿时长

3.3 months

期刊介绍： "Monatshefte für Chemie/Chemical Monthly" was originally conceived as an Austrian journal of chemistry. It has evolved into an international journal covering all branches of chemistry. Featuring the most recent advances in research in analytical chemistry, biochemistry, inorganic, medicinal, organic, physical, structural, and theoretical chemistry, Chemical Monthly publishes refereed original papers and a section entitled "Short Communications". Reviews, symposia in print, and issues devoted to special fields will also be considered.