A5061685157- Computational Drug Discovery Methods
- Bioinformatics and Genomic Networks
- Pharmacogenetics and Drug Metabolism
- Estrogen and related hormone effects
- Analytical Chemistry and Chromatography
- Receptor Mechanisms and Signaling
- Biomedical Text Mining and Ontologies
- Chemical Synthesis and Analysis
- Genetics, Bioinformatics, and Biomedical Research
- Drug Transport and Resistance Mechanisms
- Protein Structure and Dynamics
- Microbial Natural Products and Biosynthesis
- Metabolomics and Mass Spectrometry Studies
- Machine Learning in Materials Science
- Click Chemistry and Applications
- Synthesis and biological activity
- Point processes and geometric inequalities
- Machine Learning in Bioinformatics
- Biosimilars and Bioanalytical Methods
- Advanced Biosensing Techniques and Applications
- Inflammatory mediators and NSAID effects
- RNA modifications and cancer
- Hormonal and reproductive studies
- DNA and Nucleic Acid Chemistry
- S100 Proteins and Annexins
New Mexico Cancer Center
2011-2024
University of Copenhagen
2008-2024
University of New Mexico
2015-2024
University of Gothenburg
2013-2024
UNM Comprehensive Cancer Center
2004-2024
Expert System (Italy)
2023-2024
Roivant Sciences (United States)
2022-2023
Novo Nordisk Foundation
2018-2022
Foundation Center
2022
Center for Global Health
2020
The optimization of low-potency leads into drugs is often accompanied by an increase in molecular weight (M(r)) and lipophilicity, as a consequence affinity enhancement. Hits with at µM levels discovered screening leadlike libraries allow scope for this process, shown schematically the distributions M(r) library (1), oral (2), typical combinatorial chemistry (3). y=percentage particular weight.
To be considered for further development, lead structures should display the following properties: (1) simple chemical features, amenable chemistry optimization; (2) membership to an established SAR series; (3) favorable patent situation; and (4) good absorption, distribution, metabolism, excretion (ADME) properties. There are two distinct categories of leads: those that lack any therapeutic use (i.e., "pure" leads), marketed drugs themselves but have been altered yield novel drugs. We...
The G protein-coupled receptor 30 (GPR 30) has been identified as the non-genomic estrogen receptor, and G-1, specific ligand for GPR30. With use of a polyclonal antiserum directed against human C-terminus GPR30, immunohistochemical studies revealed GPR30-immunoreactivity (irGPR30) in brain adult male non-pregnant female rats. A high density irGPR30 was noted Islands Calleja striatum. In hypothalamus, detected paraventricular nucleus supraoptic nucleus. anterior posterior pituitary contained...
Abstract Estrogens play a crucial role in the development of ovarian tumors; however, signal transduction pathways involved hormone action are still poorly defined. The orphan G protein–coupled receptor 30 (GPR30) mediates nongenomic signaling 17β-estradiol (E2) variety estrogen-sensitive cancer cells through activation epidermal growth factor (EGFR) pathway. Whether estrogen α (ERα) also contributes to GPR30/EGFR is less understood. Here, we show that, ERα-positive BG-1 cells, both E2 and...
Abstract A key prerequisite for precision medicine is the estimation of disease progression from current patient state. Disease correlations and temporal (trajectories) have mainly been analysed with focus on a small number diseases or using large-scale approaches without time consideration, exceeding few years. So far, no studies focused defining comprehensive set trajectories. Here we present discovery-driven analysis patterns data an electronic health registry covering whole population...
DrugCentral (http://drugcentral.org) is an open-access online drug compendium. integrates structure, bioactivity, regulatory, pharmacologic actions and indications for active pharmaceutical ingredients approved by FDA other regulatory agencies. Monitoring of agencies new drugs approvals ensures the resource up-to-date. content with formulations, indexing label annotations, complementing similar resources available online. Its complementarity facilitated cross referencing to external...
The 'druggable genome' encompasses several protein families, but only a subset of targets within them have attracted significant research attention and thus information about publicly available. Illuminating the Druggable Genome (IDG) program was initiated in 2014, has goal developing experimental techniques Knowledge Management Center (KMC) that would collect organize from four representing most common druggable with an emphasis on understudied proteins. Here, we describe two resources...
Natural products (NPs) are a rich source of novel compound classes and new drugs. In the present study we have used chemical space navigation tool ChemGPS-NP to evaluate occupancy by NPs bioactive medicinal chemistry compounds from database WOMBAT. The two sets differ notably in coverage space, tangible leadlike were found cover regions that lack representation Property based similarity calculations performed identify NP neighbors approved Several revealed this method confirmed exhibit same...