期刊
MOLECULES
卷 27, 期 7, 页码 -出版社
MDPI
DOI: 10.3390/molecules27072180
关键词
SARS-CoV-2 main protease; inhibitors; COVID-19; docking studies; in vitro experiment
资金
- [Schueler 41]
This study evaluates several thiazole/thiadiazole/benzothiazole based thiazolidinone derivatives as potential molecules to inhibit the main protease of SARS-CoV-2. Five compounds showed inhibitory activity and also affected the cellular viability of human normal cells. These findings highlight the potential antiviral activity of these molecules and their potential as COVID-19 therapeutics.
Since the time of its appearance until present, COVID-19 has spread worldwide, with over 71 million confirmed cases and over 1.6 million deaths reported by the World Health Organization (WHO). In addition to the fact that cases of COVID-19 are increasing worldwide, the Delta and Omicron variants have also made the situation more challenging. Herein, we report the evaluation of several thiazole/thiadiazole/benzothiazole based thiazolidinone derivatives which were chosen from 112 designed derivatives by docking as potential molecules to inhibit the main protease of SARS-CoV-2. The contained experimental data revealed that among the fifteen compounds chosen, five compounds (k3, c1, n2, A2, A1) showed inhibitory activity with IC50 within the range of 0.01-34.4 mu M. By assessing the cellular effects of these molecules, we observed that they also had the capacity to affect the cellular viability of human normal MRC-5 cells, albeit with a degree of variation. More specifically, k3 which is the most promising compound with the higher inhibitory capacity to SARS-CoV-2 protease (0.01 mu M) affects in vitro cellular viability only by 57% at the concentration of 0.01 mu M after 48 h in culture. Overall, these data provide evidence on the potential antiviral activity of these molecules to inhibit the main protease of SARS-CoV-2, a fact that sheds light on the chemical structure of the thiazole/thiadiazole/benzothiazole based thiazolidin-4-one derivatives as potential candidates for COVID-19 therapeutics.
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