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丁香酚的电化学行为、与氯化铜的络合相互作用、抗氧化活性,以及其作为新冠病毒潜在药物分子对接的应用。

Eugenol's electrochemical behavior, complexation interaction with copper chloride, antioxidant activity, and potential drug molecular docking application for Covid-19.

机构信息

Chemistry Department, Faculty of Science, Damietta University, Egypt.

Chemistry Department, Faculty of Science, Mansoura University, Mansoura 35516, Egypt.

出版信息

Colloids Surf B Biointerfaces. 2024 Dec;244:114194. doi: 10.1016/j.colsurfb.2024.114194. Epub 2024 Aug 30.

Abstract

Electrochemical studies were conducted to analyze the behavior of eugenol, CuCl, and their complex using cyclic voltammetry. The oxidation mechanisms of eugenol and the redox behavior of copper ions were elucidated, showing differences in reversibility and charge transfer coefficients. Various kinetic and solvation parameters were determined. The redox behavior of CuCl was found to be more reversible compared to the copper-eugenol complex. The copper-eugenol complex exhibited enhanced antioxidant activity compared to eugenol and standard ascorbic acid. The eugenol was oxidized to form eugenol quinone methide through two postulated irreversible mechanisms. Molecular docking studies suggested higher potential bioactivity of the copper-eugenol complex towards the target protein of COVID-19 than the eugenol ligand.

摘要

电化学研究通过循环伏安法分析了丁香酚、CuCl 和它们的配合物的行为。阐明了丁香酚的氧化机制和铜离子的氧化还原行为,显示了它们在可逆性和电荷转移系数方面的差异。还确定了各种动力学和溶剂化参数。结果表明,与铜-丁香酚配合物相比,CuCl 的氧化还原行为更具有可逆性。铜-丁香酚配合物表现出比丁香酚和标准抗坏血酸更高的抗氧化活性。丁香酚通过两种假定的不可逆机制氧化形成丁香酚醌亚甲醚。分子对接研究表明,与丁香酚配体相比,铜-丁香酚配合物对 COVID-19 靶蛋白具有更高的潜在生物活性。

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