New bi-phosphonate derivative: Synthesis, characterization, antioxidant activity in vitro and via cyclic voltammetry mode and evaluation of its inhibition of SARS-CoV-2 main protease.
J Mol Struct
; 1284: 135356, 2023 Jul 15.
Article
in English
| MEDLINE | ID: covidwho-2296622
ABSTRACT
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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MEDLINE
Type of study:
Experimental Studies
Language:
English
Journal:
J Mol Struct
Year:
2023
Document Type:
Article
Affiliation country:
J.molstruc.2023.135356
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