Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen

SARS-CoV-2 3CL protease is one of the key targets for drug development against COVID-19. Most known SARS-CoV-2 3CL protease inhibitors act by covalently binding to the active site cysteine. Yet, computational screens against this enzyme were mainly focused on non-covalent inhibitor discovery. Here,...

Descripción completa

Detalles Bibliográficos
Autores principales: Wang, Liying, Yu, Zhongtian, Wang, Shiwei, Guo, Zheng, Sun, Qi, Lai, Luhua
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Masson SAS. 2022
Materias:
Research Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9528019/
https://www.ncbi.nlm.nih.gov/pubmed/36209629
http://dx.doi.org/10.1016/j.ejmech.2022.114803

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9528019/
https://www.ncbi.nlm.nih.gov/pubmed/36209629
http://dx.doi.org/10.1016/j.ejmech.2022.114803

Ejemplares similares