After 20 years of sometimes quiet growth, fragment-based drug discovery (FBDD) has
become mainstream. More than 30 drug candidates derived from fragments have entered …

Protein kinases are key components in cellular signaling pathways as they carry out the
phosphorylation of proteins, primarily on Ser, Thr, and Tyr residues. The catalytic activity of …

Chronic myelogenous leukemia (CML) arises from the constitutive activity of the BCR-ABL1
oncoprotein. Tyrosine kinase inhibitors (TKIs) that target the ATP-binding site have …

Chronic myeloid leukaemia (CML) is driven by the activity of the BCR–ABL1 fusion
oncoprotein. ABL1 kinase inhibitors have improved the clinical outcomes for patients with …

Many human malignancies are associated with aberrant regulation of protein or lipid
kinases due to mutations, chromosomal rearrangements and/or gene amplification. Protein …

A major goal in structural biology is to unravel how molecular machines function in detail. To
that end, solution-state NMR spectroscopy is ideally suited as it is able to study biological …

Tyrosine kinase inhibitor (TKI) therapy targeting the BCR-ABL1 kinase is effective against
chronic myeloid leukaemia (CML), but is not curative for most patients. Minimal residual …

Fragment-based drug discovery (FBDD) has become established in both industry and
academia as an alternative approach to high-throughput screening for the generation of …

A variety of nuclear magnetic resonance (NMR) applications have been developed for
structure-based drug discovery (SBDD). NMR provides many advantages over other …

Rational drug design implies usage of molecular modeling techniques such as
pharmacophore modeling, molecular dynamics, virtual screening, and molecular docking to …