毛细管电泳-正面分析(CE-FA)及多巴胺和血清素白蛋白结合特性的分子对接研究

IF 2.8 3区 工程技术 Q2 CHEMISTRY, ANALYTICAL Journal of separation science Pub Date : 2024-12-02 DOI:10.1002/jssc.70041
Zeynep Kalaycıoğlu, Defne Bilen
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引用次数: 0

摘要

多巴胺和血清素是对许多生理过程至关重要的神经递质,包括情绪调节、奖励和运动功能。这些神经递质失调与各种神经精神疾病有关。血浆白蛋白调节药物的生物利用度和生物活性成分的游离浓度。本研究的目的是表征多巴胺和血清素与牛血清白蛋白的相互作用。采用毛细管电泳的正面分析模式作为评价多巴胺-牛血清白蛋白和血清素-牛血清白蛋白亲和力的有效方法。游离神经递质高原与牛血清白蛋白-神经递质复合物高原明显分离。通过监测各自高原的高度来测定游离多巴胺和血清素浓度。相比之下,结合浓度由总高原高度和自由高原高度之差计算。多巴胺和血清素与牛血清白蛋白的结合位点独立,结合常数分别为1.90 × 103和2.90 × 103 L/mol。此外,通过硅分子对接方法发现了多巴胺和血清素的结合位点分别位于牛血清白蛋白的谷氨酸-291和丝氨酸-428残基附近。
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Capillary Electrophoresis-Frontal Analysis (CE-FA) and Molecular Docking Studies on the Albumin-Binding Properties of Dopamine and Serotonin

Dopamine and serotonin are neurotransmitters that are crucial for numerous physiological processes, including mood regulation, reward, and motor function. Dysregulation of these neurotransmitters is associated with various neuropsychiatric disorders. Albumin in plasma modulates the bioavailability of drugs and free concentrations of bioactive constituents. This study aimed to characterize the interactions of dopamine and serotonin with bovine serum albumin. Capillary electrophoresis in the frontal analysis mode was utilized as an effective method to assess dopamine–bovine serum albumin and serotonin–bovine serum albumin affinity. The free neurotransmitter plateaus were distinctly separated from the bovine serum albumin–neurotransmitter complex plateaus. Free dopamine and serotonin concentrations were determined by monitoring the heights of their respective plateaus. In contrast, the bound concentrations were calculated from the difference between the total and free plateau heights. Dopamine and serotonin were found to bind to bovine serum albumin at independent sites with binding constant values of 1.90 × 103 and 2.90 × 103 L/mol, respectively. Additionally, an in silico molecular docking approach revealed the binding sites for dopamine and serotonin near the glutamic acid-291 and serine-428 residues of bovine serum albumin, respectively.

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来源期刊
Journal of separation science
Journal of separation science 化学-分析化学
CiteScore
6.30
自引率
16.10%
发文量
408
审稿时长
1.8 months
期刊介绍: The Journal of Separation Science (JSS) is the most comprehensive source in separation science, since it covers all areas of chromatographic and electrophoretic separation methods in theory and practice, both in the analytical and in the preparative mode, solid phase extraction, sample preparation, and related techniques. Manuscripts on methodological or instrumental developments, including detection aspects, in particular mass spectrometry, as well as on innovative applications will also be published. Manuscripts on hyphenation, automation, and miniaturization are particularly welcome. Pre- and post-separation facets of a total analysis may be covered as well as the underlying logic of the development or application of a method.
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