Electrochemical Investigation of Cu(II) Complexation with a Novel Pyridine-Based Schiff Base Ligand: Cyclic Voltammetry, Molecular Docking, and Antioxidant Evaluation

IF 3 4区生物学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY

Cell Biochemistry and Biophysics Pub Date : 2026-06-08 DOI:10.1007/s12013-026-02091-3

Elsayed M. AbouElleef, Rania A. H. Saad, M. A. Diab, A. Z. El-Sonbati, Esam A. Gomaa, M. I. Abou-Dobara, Sh. M. Morgan

引用次数: 0

Abstract

This study investigates the electrochemical interaction between CuCl₂ and a pyridine-based Schiff base ligand in aqueous KCl using cyclic voltammetry at 302.15 K. Significant shifts in peak potentials and currents confirmed stable Cu(II)–ligand complex formation. Kinetic and thermodynamic parameters revealed diffusion-controlled processes and favorable complexation with negative Gibbs free energy values. Molecular docking studies were conducted on the free ligand against the SARS-CoV-2 protein (7JWY), showing moderate binding affinity through hydrogen bonding interactions. The ligand also exhibited antioxidant activity with an IC50 value of 0.154 mg mL− 1.

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新型吡啶基席夫碱配体与Cu（II）络合的电化学研究：循环伏安法、分子对接和抗氧化评价。

本研究采用302.15 K循环伏安法研究了CuCl2与吡啶基席夫碱配体在氯化钾水溶液中的电化学相互作用。峰电位和电流的显著变化证实了Cu(II)-配体络合物的稳定形成。动力学和热力学参数显示扩散控制过程和有利的络合与负吉布斯自由能值。游离配体对SARS-CoV-2蛋白（7JWY）进行了分子对接研究，通过氢键相互作用显示出适度的结合亲和力。该配体还具有抗氧化活性，IC50值为0.154 mg mL- 1。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Cell Biochemistry and Biophysics 生物-生化与分子生物学

CiteScore

4.40

自引率

0.00%

发文量

审稿时长

7.5 months

期刊介绍： Cell Biochemistry and Biophysics (CBB) aims to publish papers on the nature of the biochemical and biophysical mechanisms underlying the structure, control and function of cellular systems The reports should be within the framework of modern biochemistry and chemistry, biophysics and cell physiology, physics and engineering, molecular and structural biology. The relationship between molecular structure and function under investigation is emphasized. Examples of subject areas that CBB publishes are: · biochemical and biophysical aspects of cell structure and function; · interactions of cells and their molecular/macromolecular constituents; · innovative developments in genetic and biomolecular engineering; · computer-based analysis of tissues, cells, cell networks, organelles, and molecular/macromolecular assemblies; · photometric, spectroscopic, microscopic, mechanical, and electrical methodologies/techniques in analytical cytology, cytometry and innovative instrument design For articles that focus on computational aspects, authors should be clear about which docking and molecular dynamics algorithms or software packages are being used as well as details on the system parameterization, simulations conditions etc. In addition, docking calculations (virtual screening, QSAR, etc.) should be validated either by experimental studies or one or more reliable theoretical cross-validation methods.