DOI: 10.13005/ojc/390412 ISSN:

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

Saad Shaaban, Ahmed A. Al-Karmalawy, Abdulrahman G. Alhamzani, Mortaga M. Abou–Krisha, Mahmoud A. Al–Qudah, Tarek A. Yousef
  • Drug Discovery
  • Environmental Chemistry
  • Biochemistry
  • General Chemistry

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.

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