An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M(pro) inhibitor

Designing covalent inhibitors is increasingly important, although it remains challenging. Here, we present covalentizer, a computational pipeline for identifying irreversible inhibitors based on structures of targets with non-covalent binders. Through covalent docking of tailored focused libraries,...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:Cell Chem Biol
Main Authors: Zaidman, Daniel, Gehrtz, Paul, Filep, Mihajlo, Fearon, Daren, Gabizon, Ronen, Douangamath, Alice, Prilusky, Jaime, Duberstein, Shirly, Cohen, Galit, Owen, C. David, Resnick, Efrat, Strain-Damerell, Claire, Lukacik, Petra, Barr, Haim, Walsh, Martin A., von Delft, Frank, London, Nir
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier Ltd. 2021
Assuntos:
Resource
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC8228784/
https://ncbi.nlm.nih.gov/pubmed/34174194
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.chembiol.2021.05.018
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!

Registos relacionados