A5057399537- RNA and protein synthesis mechanisms
- Protein Structure and Dynamics
- Cell death mechanisms and regulation
- NF-κB Signaling Pathways
- Lipid Membrane Structure and Behavior
- Enzyme Structure and Function
- Microtubule and mitosis dynamics
- Cancer therapeutics and mechanisms
- Drug Transport and Resistance Mechanisms
- Bacterial Genetics and Biotechnology
- Cancer, Lipids, and Metabolism
- Ferroptosis and cancer prognosis
- Oral microbiology and periodontitis research
- 14-3-3 protein interactions
- Enzyme Production and Characterization
- Peptidase Inhibition and Analysis
- Computational Drug Discovery Methods
- Bacteriophages and microbial interactions
- Cancer-related Molecular Pathways
University of Antwerp
2018-2023
Centro de Investigaciones Biológicas Margarita Salas
2023
Consejo Superior de Investigaciones Científicas
2023
Ferroptosis is an iron-catalyzed, nonapoptotic form of regulated necrosis that results in oxidative lipid damage cell membranes can be inhibited by the radical-trapping antioxidant Ferrostatin-1 (Fer-1). Novel inhibitors derived from Fer-1 scaffold ferroptosis potently but suffered solubility issues. In this paper, we report synthesis a more stable and readily soluble series analogues inhibit ferroptosis. The most promising compounds (37, 38, 39) showed improved protection compared to...
Simulations of membrane proteins have been rising in popularity the past decade. Advancements technology and force fields made it possible to simulate behavior proteins. Membrane protein simulations can now be used as supporting evidence for experimental findings, elucidating mechanisms, validating crystal structures. Unrelated data, these also serve investigate larger scale processes like sorting, protein-membrane interactions, more. In this review, history well state-of-the-art...
Receptor interacting protein kinase 1 (RIPK1) plays a crucial role in tumor necrosis factor (TNF)-induced necroptosis, suggesting that this pathway might be druggable. Most inhibitors of RIPK1 are classified as either type II or III inhibitors. This opened up some interesting perspectives for the discovery novel target active site RIPK1. Tozasertib, I pan-aurora (AurK) inhibitor, was found to show very high affinity Because tozasertib presents typical structural elements development...
The fragment docking program solvation energy for exhaustive (SEED) is evaluated on 15 different protein targets, with a focus enrichment and the hit rate. It shown that SEED allows consistent computational of libraries, independent effective Depending actual target protein, true positive rates ranging up to 27% are observed at cutoff value corresponding experimental impact variations in protocols filters discussed detail. Remaining issues, limitations, use cases also discussed. Our results...
Receptor-Interacting serine/threonine-Protein Kinase 1 (RIPK1) emerged as an important driver of inflammation and, consequently, inflammatory pathologies. The enzymatic activity RIPK1 is known to indirectly promote by triggering cell death, in the form apoptosis, necroptosis and pyroptosis. Small molecule inhibitors have therefore recently entered clinical trials for treatment a subset We previously identified GSK2656157 (GSK'157), supposedly specific inhibitor protein kinase R (PKR)-like ER...
Bacterial glycosyltransferases of the GT51 family are key enzymes in bacterial cell wall synthesis. Inhibiting synthesis is a very effective approach for development antibiotics, as this can lead to either bacteriostatic or bactericidal effects. Even though existence has been known over 50 years, only one potent inhibitor exists, which an analog lipid IV product and derived from natural product. Drug focused on transglycosylase hampered due little being know about its structure reaction...