1.
Faraday Discuss
; 252(0): 354-386, 2024 Sep 11.
Artículo
en Inglés
| MEDLINE
| ID: mdl-39175251
2.
Pharmaceuticals (Basel)
; 14(11)2021 Nov 12.
Artículo
en Inglés
| MEDLINE
| ID: mdl-34832935
RESUMEN
In the present study we tested, using the microscale thermophoresis technique, a small library of thionocarbamates, thiolocarbamates, sulfide and disulfide as potential lead compounds for SARS-CoV-2 Mpro drug design. The successfully identified binder is a representative of the thionocarbamates group with a high potential for future modifications aiming for higher affinity and solubility. The experimental analysis was extended by computational studies that show insufficient accuracy of the simplest and widely applied approaches and underline the necessity of applying more advanced methods to properly evaluate the affinity of potential SARS-CoV-2 Mpro binders.