Mechanism of covalent binding of ibrutinib to Bruton's tyrosine kinase revealed by QM/MM calculations

Ibrutinib is the first covalent inhibitor of Bruton's tyrosine kinase (BTK) to be used in the treatment of B-cell cancers. Understanding the mechanism of covalent inhibition will aid in the design of safer and more selective covalent inhibitors that target BTK. The mechanism of covalent inhibit...

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Detalles Bibliográficos
Autores principales: Voice, Angus T., Tresadern, Gary, Twidale, Rebecca M., van Vlijmen, Herman, Mulholland, Adrian J.
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/PMC8097726/
https://www.ncbi.nlm.nih.gov/pubmed/33995994
http://dx.doi.org/10.1039/d0sc06122k

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8097726/
https://www.ncbi.nlm.nih.gov/pubmed/33995994
http://dx.doi.org/10.1039/d0sc06122k

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