ISSN : 0970 - 020X, ONLINE ISSN : 2231-5039
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Abstract

Synthesis and Molecular Docking Analysis of New Thiazo-Isoindolinedione Hybrids as Potential Inhibitors of the SARS-Cov-2 Main Protease

Saad Shaaban1,2*, Ahmed A. Al-Karmalawy3, Abdulrahman G. Alhamzani4, Mortaga M. Abou–Krisha4,6, Mahmoud A. Al–Qudah4,5 and Tarek A. Yousef4,6

DOI : http://dx.doi.org/10.13005/ojc/390412


Abstract:

Herein, we report the synthesis of novel thiazo-isoindolinedione derivatives in excellent yields (up to 92%) from the reaction of thiazolidinedione and isoindoline-dione. The structures of the novel compounds were elucidated by 1H-, 13C-NMR, and MS analyses. Furthermore, molecular docking analysis was performed to study the potential inhibition of the SARS-CoV-2 main protease (Mpro) by the new thiazo-isoindolinediones. The present study revealed that the new thiazo-isoindolinediones could inhibit the Mpro and represent a promising platform for the experimental development of new antiviral drugs based on thiazo-isoindolinedione scaffolds.

Keywords:

Condensation; COVID-19; Isoindolinedione; Molecular docking; Thiazolidinedione

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