Synthesis of Azoles in Water by Copper(I)-Catalyzed Prepared by Arc Thermal Plasma Process and a molecular Docking Study Against COVID-19

Abstract

Huisgen’s 1,3-dipolar cycloadditions in water of 6-azidohexan-1-ol dotted with terminal alkynes and catalyzed with copper nanoparticles, offering access to 1,2,3-triazoles 1,4-disubstituted. The SARS-CoV-2 coronavirus epidemic is still spreading at a fast rate worldwide. The core protease (Mpro) is a gorgeous mark for anti-COVID-19 agents. Click chemistry synthesis, catalyzed using nanoparticles, has been used to prepare the 1,2,3-triazole motif. The high docking score of the newly synthesized triazole are, may be, attributed to the presence of hydrogen bonds together with many interactions between the ligands and the active amino acid residue of the receptor. The comparison of the interactions of Taribavirin and Ribavirin drug with triazole in the largest pocket of 7JWY is also presented. Further interesting comparative docking analyses were performed. The results of this study suggest that triazole 3d may be considered for further investigation as one of the possible therapeutic agents for COVID-19.