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

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 H-1-, C-13-NMR, and MS analyses. Furthermore, molecular docking analysis was performed to study the potential inhibition of the SARS-CoV-2 main protease (M-pro) 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.