Houas Noudjoud, Kitouni Siham, Chafai Nadjib, Ghedjati Samira, Djenane Meriem, Tounsi Assia
Laboratory of Electrochemistry of Molecular Materials and Complex (LEMMC). Department of Process Engineering, Faculty of Technology, University of Ferhat ABBAS Setif-1, El-Mabouda campus, 19000 Sétif, Algeria.
Department of Chemistry, Faculty of Science, University Ferhat Abbas Setif-1, Setif 19000, Algeria.
J Mol Struct. 2023 Jul 15;1284:135356. doi: 10.1016/j.molstruc.2023.135356. Epub 2023 Mar 15.
In this study, we have synthesized a new molecule labeled HBPA. Its molecular structure was determined by spectroscopic methods such as: FT-IR, NMR (H, C and P); our compound is subjected to two antioxidant activities assays: DPPH scavenging and ferric reducing antioxidant power (FRAP); in the results, HBPA was expanded remarkable inhibition when compared especially to standard BHT with values of 14.936±0.808 and 7.1486±0.0645 μg/ml, respectively; in addition to the scavenging test of superoxide anion integrated in electrochemical process, it elucidated a strongly stable interaction towards the radical by evaluating the thermodynamic descriptors (Gibbs free energy ΔG° and the binding constant K). Besides, the electrochemical behavior of HBPA was distinguished by an irreversible system and for the electrochemical regime adopted at the surface of the electrode; a diffusion governed by a slow charge transfer was deduced. The molecular docking of HBPA was conducted beside Chloroquine and the obtained results were indicated a significant binding with active sites of the SARS-CoV-2 main protease (M).
在本研究中，我们合成了一种标记为HBPA的新分子。其分子结构通过FT-IR、NMR（H、C和P）等光谱方法确定；我们的化合物进行了两种抗氧化活性测定：DPPH清除和铁还原抗氧化能力（FRAP）；结果显示，与标准BHT相比，HBPA表现出显著的抑制作用，其值分别为14.936±0.808和7.1486±0.0645μg/ml；除了在电化学过程中对超氧阴离子的清除测试外，通过评估热力学描述符（吉布斯自由能ΔG°和结合常数K），阐明了其与自由基之间强烈稳定的相互作用。此外，HBPA的电化学行为以不可逆系统为特征，对于电极表面采用的电化学体系，推断出由缓慢电荷转移控制的扩散。在氯喹旁边进行了HBPA的分子对接，所得结果表明其与SARS-CoV-2主要蛋白酶（M）的活性位点有显著结合。
