A novel imatinib analogue inhibitor of chronic myeloid leukaemia: design, synthesis and characterization—explanation of its folded conformation

Chronic myeloid leukaemia (CML) is primarily treated using imatinib mesylate, a tyrosine kinase inhibitor (TKI) targeting the BCR::ABL1 oncoprotein. However, the development of drug resistance and adverse side effects necessitate the exploration of alternative therapeutic agents. This study presents...

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Principais autores:	Rodolfo Moreno-Fuquen, Juan F. Avellaneda-Tamayo, Kevin Arango-Daraviña, Javier Ellena, Alan R. Kennedy
Formato:	Artigo
Idioma:	Inglês
Publicado em:	The Royal Society 2025-01-01
Colecção:	Royal Society Open Science
Assuntos:	density functional theory molecular electrostatic potential Hirshfeld surface energy framework molecular docking chronic myeloid leukaemia
Acesso em linha:	https://royalsocietypublishing.org/doi/10.1098/rsos.241654
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