A5047508803- Click Chemistry and Applications
- Chemical Synthesis and Analysis
- HIV/AIDS drug development and treatment
- Peptidase Inhibition and Analysis
- Polyamine Metabolism and Applications
- Mast cells and histamine
- Biochemical and Molecular Research
- Retinoids in leukemia and cellular processes
- Computational Drug Discovery Methods
- Microbial Natural Products and Biosynthesis
- Studies on Chitinases and Chitosanases
- Machine Learning in Materials Science
- Protease and Inhibitor Mechanisms
- Electrochemical Analysis and Applications
- Coagulation, Bradykinin, Polyphosphates, and Angioedema
- Autophagy in Disease and Therapy
University of Antwerp
2014-2019
Urokinase plasminogen activator (uPA) is a biomarker and therapeutic target for several cancer types. Its inhibition regarded as promising, noncytotoxic approach in therapy by blocking growth and/or metastasis of solid tumors. Earlier, we reported the modified substrate activity screening (MSAS) applied it identification fragments with affinity uPA's S1 pocket. Here, these are transformed into novel class uPA inhibitors an imidazo[1,2-a]pyridine scaffold. The SAR around this scaffold...
Spectrophores are novel descriptors that calculated from the three-dimensional atomic properties of molecules. In our current implementation, were used to calculate spectrophores include partial charges, lipophilicity indices, shape deviations and softness properties. This approach can easily be widened also additional Our methodology finds its roots in experimental affinity fingerprinting technology developed 1990's by Terrapin Technologies. Here we have translated it into a purely virtual...
Target-guided synthesis (TGS) has emerged as a promising strategy in drug discovery. Although reported examples of TGS generally involve two-component reactions, there is strong case for developing target-guided versions three-component reactions (3CRs) because their potential to deliver highly diversified druglike molecules. To this end, the Groebke-Blackburn-Bienaymé reaction was selected model 3CR. We recently series urokinase inhibitors, and these serve reference compounds present study....
We report the first highly potent and selective small-molecule KLK4 inhibitors, showing surprising reversible binding kinetics.
Abstract Fragment‐based drug discovery (FBDD) has evolved into an established approach for “hit” identification. Typically, most applications of FBDD depend on specialised cost‐ and time‐intensive biophysical techniques. The substrate activity screening (SAS) been proposed as a relatively cheap straightforward alternative identification fragments enzyme inhibitors. We have investigated SAS the inhibitors oncology target urokinase (uPA). Although our results support key hypotheses SAS, we...
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