化学
膦酸盐
循环伏安法
电化学
抗氧化剂
吉布斯自由能
DPPH
分子
质子核磁共振
立体化学
核化学
有机化学
电极
物理化学
物理
量子力学
作者
Noudjoud Houas,Siham Kitouni,Nadjib Chafai,Samira Ghedjati,Meriem Djenane,Assia Tounsi
标识
DOI:10.1016/j.molstruc.2023.135356
摘要
In this study, we have synthesized a new molecule labeled HBPA. Its molecular structure was determined by spectroscopic methods such as: FT-IR, NMR (1H, 13C and 31P); 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 Kb). 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 (Mpro).
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