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

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 derivative...

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Main Authors: 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
Format: Article
Language:English
Published: MDPI AG 2025-06-01
Series:Pharmaceuticals
Subjects:
3D-QSAR
chronic myeloid leukaemia
Bcr-Abl inhibitors
purine derivatives
docking studies
molecular dynamics
Online Access:https://www.mdpi.com/1424-8247/18/6/925
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