Synthesis of novel N-acyl hydrazone-oxazole hybrids and docking studies of SARS-CoV-2 main protease

¹ laboratorio de Diseño Molecular, Instituto de Investigaciones Químico Biológicas, Universidad Michoacana de San Nicolás de Hidalgo. Ciudad Universitaria, C.P. 58033, Morelia, Michoacán, México
² Departamento de Alimentos, Centro Interdisciplinario del Noreste (CINUG), Universidad de Guanajuato, Tierra Blanca, Guanajuato, México

Published: 14 November 2020 by MDPI in The 24th International Electronic Conference on Synthetic Organic Chemistry session General Organic Synthesis

https://doi.org/10.3390/ecsoc-24-08329

Abstract:

A novel synthetic strategy to obtain acyl hydrazine-oxazole hybrids in three-step reactions in moderate to good yields is reported. The key step reaction consists in a Van Leusen reaction using a bifunctional component of both an aldehyde and a methyl ester functional groups. The target molecules were evaluated via in-silico by molecular docking with the main protease enzyme of SARS-Cov-2, where two acyl hydralazine-oxazoles yielded good predicted free energy values in comparison to the co-crystalized ligand.

Keywords: Oxazoles; N-Acyl hydrazones; Van-Leusen reaction, Docking studies; SARS-CoV-2

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Verónica García-Ramírez