A5076459682- Estrogen and related hormone effects
- Computational Drug Discovery Methods
- Research Data Management Practices
- Scientific Computing and Data Management
- Genetics, Bioinformatics, and Biomedical Research
- Hormonal and reproductive studies
- Inflammatory mediators and NSAID effects
- Metabolomics and Mass Spectrometry Studies
- Analytical Chemistry and Chromatography
- Big Data and Business Intelligence
- Hormonal Regulation and Hypertension
- Prostate Cancer Treatment and Research
- Bioactive Compounds and Antitumor Agents
- Graph Theory and Algorithms
- Nutritional Studies and Diet
- Data Mining Algorithms and Applications
- Data Analysis with R
- Sexual Differentiation and Disorders
- Distributed and Parallel Computing Systems
- Steroid Chemistry and Biochemistry
- Cytokine Signaling Pathways and Interactions
- Data Quality and Management
- Receptor Mechanisms and Signaling
- Mass Spectrometry Techniques and Applications
- Bioinformatics and Genomic Networks
Netherlands eScience Center
2013-2019
Janssen (Belgium)
2019
Radboud Institute for Molecular Life Sciences
2017
Radboud University Medical Center
2015-2017
Radboud University Nijmegen
2013-2017
MSD (Netherlands)
2012
Robert Bosch (India)
2012
Robert Bosch (Germany)
2011
Merck (Netherlands)
2010-2011
There is an urgent need to improve the infrastructure supporting reuse of scholarly data. A diverse set stakeholders-representing academia, industry, funding agencies, and publishers-have come together design jointly endorse a concise measureable principles that we refer as FAIR Data Principles. The intent these may act guideline for those wishing enhance reusability their data holdings. Distinct from peer initiatives focus on human scholar, Principles put specific emphasis enhancing ability...
One mechanism of prostate tumors for escape from androgen ablation therapies is mutation the receptor (AR). We investigated unique properties AR L701H mutant, which strongly stimulated by cortisol, a systematic structure-function analysis. Most amino acid substitutions at position 701 did not affect activation 5alpha-dihydrotestosterone. Further analysis Leu(701) variants showed that L701M and L701Q, like L701H, had changed ligand responsiveness. was activated progesterone but whereas...
The progesterone receptor is able to bind a large number and variety of ligands that elicit broad range transcriptional responses ranging from full agonism antagonism numerous mixed profiles inbetween. We describe here two new ligand binding domain x-ray structures bound compounds structurally related but functionally divergent series, which show different modes corresponding their agonistic or antagonistic nature. In addition, we present third dimer an agonist in monomer A antagonist B,...
Glucocorticoids (GCs) such as prednisolone are potent immunosuppressive drugs but suffer from severe adverse effects, including the induction of insulin resistance. Therefore, development so-called Selective Glucocorticoid Receptor Modulators (SGRM) is highly desirable. Here we describe a non-steroidal (GR)-selective compound (Org 214007-0) with binding affinity to GR similar that prednisolone. Structural modelling GR-Org 214007-0 site shows disturbance loop between helix 11 and 12 GR,...
The industry sector is a very large producer and consumer of data, many companies traditionally focused on production or manufacturing are now relying the analysis amounts data to develop new products services. As sources needed distributed outside company, FAIR will have major impact, both by reducing existing internal silos enabling efficient integration with external (public commercial) data. Many still in early phases “FAIRification”, providing opportunities for SMEs academics apply...
3D-e-Chem-VM is an open source, freely available Virtual Machine ( http://3d-e-chem.github.io/3D-e-Chem-VM/ ) that integrates cheminformatics and bioinformatics tools for the analysis of protein-ligand interaction data. consists software libraries, database workflow can analyze combine small molecule protein structural information in a graphical programming environment. New chemical biological data analytics workflows have been developed efficient exploitation pharmacological from...
Insertion of 3 to 4 mutations, based on in silico modelling, a diverse set natural miniproteins generates potent androgen receptor (AR) binders and clear insight into the structure-activity relationship such coactivator mimics concerning helix length.
Androgen receptor (AR) mutations in androgen insensitivity syndrome (AIS) are associated with a variety of clinical phenotypes. The aim the present study was to compare molecular properties and potential pathogenic nature 8 novel 3 recurrent AR variants broad functional assays. Eleven (p.Cys177Gly, p.Arg609Met, p.Asp691del, p.Leu701Phe, p.Leu723Phe, p.Ser741Tyr, p.Ala766Ser, p.Arg775Leu, p.Phe814Cys, p.Lys913X, p.Ile915Thr) were analyzed for hormone binding, transcriptional activation,...