3D-QSAR Design of New Bcr-Abl Inhibitors Based on Purine Scaffold and Cytotoxicity Studies on CML Cell Lines Sensitive and Resistant to Imatinib

<b>Background/Objectives:</b> Bcr-Abl inhibitors such as imatinib have been used to treat chronic myeloid leukemia (CML). However, the efficacy of these drugs has diminished due to mutations in the kinase domain, notably the T315I mutation. Therefore, in this study, new purine derivatives were desig...

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Principais autores:	David Cabezas, Thalía Delgado, Guisselle Sepúlveda, Petra Krňávková, Veronika Vojáčková, Vladimír Kryštof, Miroslav Strnad, Nicolás Ignacio Silva, Javier Echeverría, Christian Espinosa-Bustos, Guido Mellado, Jiao Luo, Jaime Mella, Cristian O. Salas
Formato:	Artigo
Idioma:	Inglês
Publicado:	MDPI AG 2025-06-01
Series:	Pharmaceuticals
Assuntos:	3D-QSAR chronic myeloid leukaemia Bcr-Abl inhibitors purine derivatives docking studies molecular dynamics
Acceso en liña:	https://www.mdpi.com/1424-8247/18/6/925
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