Synthesis, molecular docking, molinspiration and anti oxidant studies of novel n-ethylbenzimidazolyl isoxazole derivatives

Abstract

A pandemic of acute respiratory disease known as "coronavirus disease 2019" (COVID-19) has been caused by coronavirus 2 (SARS-CoV-2), a highly transmissible and pathogenic coronavirus that first appeared in late 2019. This disease poses a hazard to public health and safety. A series of novel benzimidazolyl isoxazoles were synthesized from 1,2-diaminobenzene and lactic acid, it was expected that they would exhibit a wide range of biological activities. Synthesised compounds were characterised by FT-IR, H1NMR and mass spectroscopy. Docking studies are also done by using PyRx and visualized by PyMoL software. Molecular properties and bioactivity of the compounds were predicted using molinspiration online software.  Anti-oxidant activities of the synthesised compounds were determined using DPPH scavenging assay.