Orateur
Description
Abstract
Recognizing the significant body of research on azomethines and their substantial contribution to the scientific literature is essential. These compounds have attracted considerable attention over an extended period and have been widely employed in medicine for the treatment of various disorders. Owing to their remarkable ability to form complexes with metal ions, azomethines are extensively used in diverse fields such as water treatment [1,2], metal recovery, and nuclear waste management. In addition to their industrial relevance, azomethines exhibit a wide range of notable biological activities, including antioxidant, antibacterial, anticancer, antifungal, and antiviral properties [3,4].
The azomethine compound SB (1-[(E)-(1H-1,2,4-triazol-3-ylimino)methyl]-2-naphthol) was synthesized by adding 2.3 mmol of 3-amino-1H-1,2,4-triazole in 5 mL of methanol to 5 mL of a methanolic solution containing 2-hydroxy-1-naphthaldehyde. The mixture was stirred and refluxed for three hours, then left undisturbed for 24 hours [5]. The resulting precipitate was filtered, rinsed with cold methanol, and air-dried. The compound was characterized using UV–Vis spectroscopy, FT-IR, ¹H NMR, ¹³C NMR (decoupled), ESI-HRMS, TGA, and DSC analyses.
Antioxidant activity was evaluated using the DPPH radical scavenging assay. Molecular docking simulations were performed using iGEMDOCK version 2.1 to predict the binding affinity of SB at the active sites of xanthine oxidase, NADPH oxidase, Acidithiobacillus ferrooxidans (PDB ID: 1H10), and the SARS-CoV-2 main protease (retrieved from the Protein Data Bank). A grid box of 30 × 30 × 30 Å was applied for docking calculations. The docked poses and molecular interactions were further analyzed using Accelrys Discovery Studio Visualizer to generate 2D/3D interaction plots.
This study confirmed the antioxidant potential of SB. In silico docking results suggest that SB may serve as a promising therapeutic agent for COVID-19 and as an inhibitor of xanthine oxidase, NADPH oxidase, and A. ferrooxidans (1H10), all of which are associated with diseases such as cancer, inflammation, and oxidative stress. Further in vitro and in vivo studies are recommended to experimentally validate these computational findings and assess the compound's full therapeutic potential.
Keywords: Azomethine, Antioxidant activity, DPPH, Molecular docking simulations.
References
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