Drug-target residence time (τ), one of the main determinants of drug efficacy, remains highly
challenging to predict computationally and, therefore, is usually not considered in the early …

Accurate ranking of compounds with regards to their binding affinity to a protein using
computational methods is of great interest to pharmaceutical research. Physics-based free energy …

Here we describe the discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs)
as potent and selective inhibitors of the mitotic kinesin-5 originally found during a …

Inhibition of the PARP superfamily tankyrase enzymes suppresses Wnt/β-catenin signalling
in tumour cells. Here, we describe here a novel, drug-like small molecule inhibitor of …

Residence time and more recently the association rate constant k on are increasingly
acknowledged as important parameters for in vivo efficacy and safety of drugs. However, their …

Tankyrases 1 and 2 (TNKS1/2) are promising pharmacological targets that recently gained
interest for anticancer therapy in Wnt pathway dependent tumors. 2-Aryl-quinazolinones were …

The treatment of gastrointestinal stromal tumors (GISTs) driven by activating mutations in the
KIT gene is a prime example of targeted therapy for treatment of cancer. The approval of the …

The standard glycine site antagonist of the N-methyl-d-aspartate (NMDA) receptor, 3-phenyl-4-hydroxyquinolin-2(1H)-one
(21), was used as a template for bioisostere benzene/…

The solid phase synthesis of oxazolidinones via a novel cylisation/cleavage reaction is
described. Resin bound carbamates 2, which were obtained by reaction of Wang-resin with …

Aberrant activation of the Wnt signalling pathway is required for tumour initiation and survival
in the majority of colorectal cancers. The development of inhibitors of Wnt signalling has …