Thiazole-based SARS-CoV-2 protease (COV M^pro ) inhibitors: Design, synthesis, enzyme inhibition, and molecular modeling simulations.

ABSTRACT: As an attempt to contribute to the efforts of combating the pandemic virus severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) responsible for COVID-19, new analogs of the repurposed drug nitazoxanide which showed promising inhibitory efficacy on a viral protease enzyme were designed, synthesized and evaluated for their inhibitory activity on the main protease of the SARS-CoV-2 virus, using the COV2-3CL protease inhibition assay. The obtained results showed that the N-(substituted-thiazol-2-yl)cinnamamide analogs 19, 20, and 21 were the most active compounds with IC₅₀ values of 22.61, 14.7, 21.99 µM, respectively, against the viral protease compared to the reference drugs, nitazoxanide, and lopinavir. Molecular modeling studies showed binding interactions of 19, 20, and

SUBMITTER: Elsayed RW 

PROVIDER: S-EPMC9348455 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature