Cargando…
In silico screening-based discovery of novel covalent inhibitors of the SARS-CoV-2 3CL protease
The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) 3CL protease (3CL(pro)) has been regarded as an extremely promising antiviral target for the treatment of coronavirus disease 2019 (COVID-19). Here, we carried out a virtual screening based on commercial compounds database to find nove...
Autores principales: | Xiong, Muya, Nie, Tianqing, Shao, Qiang, Li, Minjun, Su, Haixia, Xu, Yechun |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier Masson SAS.
2022
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8783839/ https://www.ncbi.nlm.nih.gov/pubmed/35114541 http://dx.doi.org/10.1016/j.ejmech.2022.114130 |
Ejemplares similares
-
Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease
por: Wang, Qian, et al.
Publicado: (2023) -
Identification of pyrogallol as a warhead in design of covalent inhibitors for the SARS-CoV-2 3CL protease
por: Su, Haixia, et al.
Publicado: (2021) -
Unraveling the catalytic mechanism of SARS-CoV-2 papain-like protease with allosteric modulation of C270 mutation using multiscale computational approaches
por: Shao, Qiang, et al.
Publicado: (2023) -
Design, synthesis and biological evaluation of covalent peptidomimetic 3CL protease inhibitors containing nitrile moiety
por: Zhu, Mengwei, et al.
Publicado: (2023) -
Discovery of novel SARS-CoV-2 3CL protease covalent inhibitors using deep learning-based screen
por: Wang, Liying, et al.
Publicado: (2022)