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The continuous emergence of SARS-CoV-2 mutations has prolonged the COVID-19 pandemic and raised concerns about the effectiveness of current vaccines. In this study, we present the evaluation of several thiazole/benzothiazole-based thiazolidinone derivatives, selected from a pool of 85 designed compounds through molecular docking, as potential inhibitors of the SARS-CoV-2 main protease. The experimental data revealed that among the fifteen compounds chosen, five compounds showed inhibitory activity with IC50 within the range of 0.19–13.15 μΜ. By assessing the cellular effects of these molecules, we observed that they didn’t have the capacity to affect the cellular viability of human normal MRC-5 cells considering them safe. Collectively, these results support the potential antiviral properties of thiazole/benzothiazole-based thiazolidin-4-one derivatives as promising candidates for the development of COVID-19 therapeutics.

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Evaluation of 2-phenylthiazolidin-4-one Analogues as Inhibitors of the SARS-CoV-2 Main Protease

  • 会议论文

  • 发表日期：

    2026年

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  • Anthi Petrou,
  • Athina Geronikaki,
  • Hathaichanok Chuntakaruk,
  • Leentje Persoons,
  • Thanyada Rungrotmongkol,
  • Dominique Schols,
  • Aliki Papadimitriou-Tsantarliotou,
  • Ioannis S. Vizirianakis,
  • Steven De Jonghe,
  • Fliur Z. Macaev

摘要

The continuous emergence of SARS-CoV-2 mutations has prolonged the COVID-19 pandemic and raised concerns about the effectiveness of current vaccines. In this study, we present the evaluation of several thiazole/benzothiazole-based thiazolidinone derivatives, selected from a pool of 85 designed compounds through molecular docking, as potential inhibitors of the SARS-CoV-2 main protease. The experimental data revealed that among the fifteen compounds chosen, five compounds showed inhibitory activity with IC50 within the range of 0.19–13.15 μΜ. By assessing the cellular effects of these molecules, we observed that they didn’t have the capacity to affect the cellular viability of human normal MRC-5 cells considering them safe. Collectively, these results support the potential antiviral properties of thiazole/benzothiazole-based thiazolidin-4-one derivatives as promising candidates for the development of COVID-19 therapeutics.