Article
Electronic and structural study of T315I mutated form in DFG-out conformation of BCR-ABL inhibitors.
Journal of biomolecular structure & dynamics - 1 Jan 2022
Pereira Washington A, Nascimento Érica C M, Martins João B L
Abstract excerpt
In this work, the four main drugs for the treatment of chronic myeloid leukemia were analyzed, being imatinib, dasatinib, nilotinib and ponatinib followed by four derivative molecules of nilotinib and ponatinib. For these derivative molecules, the fluorine atoms were replaced by hydrogen and chlorine atoms in order to shade light to the structural effects on this set of inhibitors. Electronic studies were...
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