Discovery of SARS-CoV-2 M(pro) peptide inhibitors from modelling substrate and ligand binding

The main protease (M(pro)) of SARS-CoV-2 is central to viral maturation and is a promising drug target, but little is known about structural aspects of how it binds to its 11 natural cleavage sites. We used biophysical and crystallographic data and an array of biomolecular simulation techniques, inc...

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Detalles Bibliográficos
Autores principales: Chan, H. T. Henry, Moesser, Marc A., Walters, Rebecca K., Malla, Tika R., Twidale, Rebecca M., John, Tobias, Deeks, Helen M., Johnston-Wood, Tristan, Mikhailov, Victor, Sessions, Richard B., Dawson, William, Salah, Eidarus, Lukacik, Petra, Strain-Damerell, Claire, Owen, C. David, Nakajima, Takahito, Świderek, Katarzyna, Lodola, Alessio, Moliner, Vicent, Glowacki, David R., Spencer, James, Walsh, Martin A., Schofield, Christopher J., Genovese, Luigi, Shoemark, Deborah K., Mulholland, Adrian J., Duarte, Fernanda, Morris, Garrett M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8549791/
https://www.ncbi.nlm.nih.gov/pubmed/34760153
http://dx.doi.org/10.1039/d1sc03628a

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