Conformational modifications induced by internal tandem duplications on the FLT3 kinase and juxtamembrane domains

G Todde, R Friedman - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
The aberrant expression of FLT3 tyrosine kinase is associated primarily with acute myeloid
leukaemia. This blood malignancy is often related to the onset of internal tandem …

Pharmacophore-based virtual screening, molecular docking, and molecular dynamics studies for the discovery of novel FLT3 inhibitors

M Ouassaf, O Daoui, S Alam, S Elkhattabi… - Journal of …, 2023 - Taylor & Francis
FLT3 is considered a potential target of acute myeloid leukemia therapy. In this study, we
applied a computer-aided methodology unifying molecular docking and pharmacophore …

Homology modeling of DFG-in FMS-like tyrosine kinase 3 (FLT3) and structure-based virtual screening for inhibitor identification

YY Ke, VK Singh, MS Coumar, YC Hsu, WC Wang… - Scientific reports, 2015 - nature.com
The inhibition of FMS-like tyrosine kinase 3 (FLT3) activity using small-molecule inhibitors
has emerged as a target-based alternative to traditional chemotherapy for the treatment of …

Pattern and dynamics of FLT3 duplications

G Todde, R Friedman - Journal of Chemical Information and …, 2020 - ACS Publications
FMS-like tyrosine kinase 3 (FLT3) is mutated in∼ 30% of patients that suffer from acute
myeloid leukemia (AML). In about 25% of all AML patients, in-frame insertions are observed …

FMS-like tyrosine kinase-3 (FLT3) inhibitors with better binding affinity and ADMET properties than sorafenib and gilteritinib against acute myeloid leukemia: in silico …

C Egbuna, KC Patrick-Iwuanyanwu… - Journal of …, 2022 - Taylor & Francis
Abstract Over 30–35% of patients down with AML are caused by mutations of FLT3‐ITD and
FLT3‐TKD which keeps the protein activated while it activates other signaling proteins …

Molecular dynamics studies on D835N mutation in FLT3—its impact on FLT3 protein structure

RG Swetha, S Ramaiah… - Journal of Cellular …, 2016 - Wiley Online Library
ABSTRACT Mutations in Fetal Liver Tyrosine Kinase 3 (FLT3) genes are implicated in the
constitutive activation and development of Acute Myeloid Leukaemia (AML). They are …

Computer simulations of the signalling network in FLT3 +-acute myeloid leukaemia – indications for an optimal dosage of inhibitors against FLT3 and CDK6

A Buetti-Dinh, R Friedman - BMC bioinformatics, 2018 - Springer
Background Mutations in the FMS-like tyrosine kinase 3 (FLT3) are associated with
uncontrolled cellular functions that contribute to the development of acute myeloid …

Discovery of novel Flt3 inhibitory chemotypes through extensive ligand-based and new structure-based pharmacophore modelling methods

RF Abutayeh, MO Taha - Journal of Molecular Graphics and Modelling, 2019 - Elsevier
Flt3 is an oncogenic kinase involved in different types of leukemia. It is most prominently
associated with acute myeloid leukemia (AML). Flt3-specific inhibitors have shown …

Activation and inactivation of the FLT3 kinase: Pathway intermediates and the free energy of transition

G Todde, R Friedman - The Journal of Physical Chemistry B, 2019 - ACS Publications
The aberrant expression of kinases is often associated with pathologies such as cancer and
autoimmune diseases. Like other types of enzymes, kinases can adopt active and inactive …

Discovery and optimization of a highly efficacious class of 5-aryl-2-aminopyridines as FMS-like tyrosine kinase 3 (FLT3) inhibitors

G Liu, S Abraham, X Liu, S Xu, AM Rooks… - Bioorganic & Medicinal …, 2015 - Elsevier
Based on a putative binding mode of quizartinib (AC220, 1), a potent FMS-like tyrosine
kinase 3 (FLT3) inhibitor in Phase III clinical development, we have designed de novo a …