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Fragment-hopping-based discovery of a novel chemical series of proto-oncogene PIM-1 kinase inhibitorsDesign, synthesis and activity as acid ceramidase inhibitors of 2-oxooctanoyl and N-oleoylethanolamine analoguesThe CHEMDNER corpus of chemicals and drugs and its annotation principlesThe Markyt visualisation, prediction and benchmark platform for chemical and gene entity recognition at BioCreative/CHEMDNER challengeStructure-based virtual screening of FGFR inhibitors: cross-decoys and induced-fit effect.Solid-phase synthesis of a combinatorial library of dihydroceramide analogues and its activity in human alveolar epithelial cells.Cell-integral-diversity criterion: a proposal for minimizing cluster artifact in cell-based selections.Comparison of ligand-based and receptor-based virtual screening of HIV entry inhibitors for the CXCR4 and CCR5 receptors using 3D ligand shape matching and ligand-receptor docking.Discovery of novel non-cyclam polynitrogenated CXCR4 coreceptor inhibitors.An integrated one-step system to extract, analyze and annotate all relevant information from image-based cell screening of chemical libraries.Discovery of mitogen-activated protein kinase-interacting kinase 1 inhibitors by a comprehensive fragment-oriented virtual screening approach.Biologically relevant chemical space navigator: from patent and structure-activity relationship analysis to library acquisition and design.CHEMDNER: The drugs and chemical names extraction challenge.Novel Scaffold FingerPrint (SFP): applications in scaffold hopping and scaffold-based selection of diverse compounds.Concomitant histone deacetylase and phosphodiesterase 5 inhibition synergistically prevents the disruption in synaptic plasticity and it reverses cognitive impairment in a mouse model of Alzheimer's disease.Chemical interrogation of FOXO3a nuclear translocation identifies potent and selective inhibitors of phosphoinositide 3-kinasesComputational medicinal chemistry in fragment-based drug discovery: what, how and when.Information Retrieval and Text Mining Technologies for Chemistry.Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer's Disease.Rapid identification of ETP-46992, orally bioavailable PI3K inhibitor, selective versus mTOR.Imidazo[1,2-a]pyrazines as novel PI3K inhibitors.Discovery and safety profiling of a potent preclinical candidate, (4-[4-[[(3R)-3-(hydroxycarbamoyl)-8-azaspiro[4.5]decan-3-yl]sulfonyl]phenoxy]-N-methylbenzamide) (CM-352), for the prevention and treatment of hemorrhage.APIF: a new interaction fingerprint based on atom pairs and its application to virtual screening.Two Affinity Sites of the Cannabinoid Subtype 2 Receptor Identified by a Novel Homogeneous Binding Assay.Impact of Scaffold Exploration on Novel Dual-Acting Histone Deacetylases and Phosphodiesterase 5 Inhibitors for the Treatment of Alzheimer's Disease.A First-in-Class Small-Molecule that Acts as a Dual Inhibitor of HDAC and PDE5 and that Rescues Hippocampal Synaptic Impairment in Alzheimer's Disease Mice.In Silico Aptamer Docking Studies: From a Retrospective Validation to a Prospective Case Study-TIM3 Aptamers Binding.Identification of ETP-46321, a potent and orally bioavailable PI3K α, δ inhibitor.Conformational selection versus induced fit in kinases: the case of PI3K-γ.Novel pharmacological maps of protein lysine methyltransferases: key for target deorphanizationDevelopment and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreenDetailed Exploration around 4-Aminoquinolines Chemical Space to Navigate the Lysine Methyltransferase G9a and DNA Methyltransferase Biological SpacesDiscovery of Reversible DNA Methyltransferase and Lysine Methyltransferase G9a Inhibitors with Antitumoral in Vivo EfficacyPhenotypic Screening To Discover Novel Chemical Series as Efficient Antihemorrhagic AgentsHsp70 protects from stroke in atrial fibrillation patients by preventing thrombosis without increased bleeding riskDesign, Synthesis, and Biological Evaluation of Novel Matrix Metalloproteinase Inhibitors As Potent Antihemorrhagic Agents: From Hit Identification to an Optimized LeadTowards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approachDiscovery of in Vivo Chemical Probes for Treating Alzheimer's Disease: Dual Phosphodiesterase 5 (PDE5) and Class I Histone Deacetylase Selective InhibitorsMultitarget Approach for the Treatment of Alzheimer's Disease: Inhibition of Phosphodiesterase 9 (PDE9) and Histone Deacetylases (HDACs) Covering Diverse Selectivity Profiles
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P50
description
hulumtuese
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Obdulia Rabal
@ast
Obdulia Rabal
@en
Obdulia Rabal
@es
Obdulia Rabal
@nl
Obdulia Rabal
@sl
type
label
Obdulia Rabal
@ast
Obdulia Rabal
@en
Obdulia Rabal
@es
Obdulia Rabal
@nl
Obdulia Rabal
@sl
altLabel
Maria Obdulia Rabal
@en
prefLabel
Obdulia Rabal
@ast
Obdulia Rabal
@en
Obdulia Rabal
@es
Obdulia Rabal
@nl
Obdulia Rabal
@sl
P1053
D-3076-2017
P106
P21
P2456
P31
P3829
P496
0000-0002-3224-0987
P569
2000-01-01T00:00:00Z