about
A Rational Approach for the Identification of Non-Hydroxamate HDAC6-Selective InhibitorsBioGPS: navigating biological space to predict polypharmacology, off-targeting, and selectivity.BioGPS: The Music for the Chemo- and Bioinformatics Walzer.Small molecule inhibitors of influenza A and B viruses that act by disrupting subunit interactions of the viral polymerase.Modeling from Theory and Modeling from Data: Complementary or Alternative Approaches? The Case of Ionic Liquids.Hoechst 33258 as a pH-sensitive probe to study the interaction of amine oxide surfactants with DNA.Extending pKa prediction accuracy: high-throughput pKa measurements to understand pKa modulation of new chemical series.A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fieldsModeling, design and synthesis of new heteroaryl ethylenes active against the MCF-7 breast cancer cell-line.Pharmacophore-based discovery of inhibitors of a novel drug/proton antiporter in human brain endothelial hCMEC/D3 cell lineUse of lipidomics to investigate sebum dysfunction in juvenile acne.Some considerations on the predictions of pharmacokinetic alterations in subjects with liver disease.Metabolism study and biological evaluation of bosentan derivatives.Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Protein-Protein Interaction as a Target for Next-Generation Anti-influenza Therapeutics.Lipostar, a Comprehensive Platform-Neutral Cheminformatics Tool for Lipidomics.Synthesis of new indole-based bisphosphonates and evaluation of their chelating ability in PE/CA-PJ15 cells.Use of the Distribution Coefficient in Brain Polar Lipids for the Assessment of Drug-Induced Phospholipidosis Risk.Passive Intestinal Absorption of Representative Plant Secondary Metabolites: A Physicochemical Study.Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields.New linezolid-like 1,2,4-oxadiazoles active against Gram-positive multiresistant pathogens.Efficient and regioselective one-step synthesis of 7-aryl-5-methyl- and 5-aryl-7-methyl-2-amino-[1,2,4]triazolo[1,5-a]pyrimidine derivatives.Indole Based Weapons to Fight Antibiotic Resistance: A Structure-Activity Relationship Study.Exploring the cycloheptathiophene-3-carboxamide scaffold to disrupt the interactions of the influenza polymerase subunits and obtain potent anti-influenza activity.Improved Potency of Indole-Based NorA Efflux Pump Inhibitors: From Serendipity toward Rational Design and Development.Human cytomegalovirus inhibitor AL18 also possesses activity against influenza A and B viruses.A Broad Anti-influenza Hybrid Small Molecule That Potently Disrupts the Interaction of Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Subunits.Optimization of small-molecule inhibitors of influenza virus polymerase: from thiophene-3-carboxamide to polyamido scaffolds.Structural investigation of cycloheptathiophene-3-carboxamide derivatives targeting influenza virus polymerase assembly.Structure-metabolism relationships in human-AOX: Chemical insights from a large database of aza-aromatic and amide compounds.GRID-based three-dimensional pharmacophores I: FLAPpharm, a novel approach for pharmacophore elucidation.Interaction between DNA and cationic amphiphiles: a multi-technique study.Flavin monooxygenase metabolism: why medicinal chemists should matter.Surfactant-based photorheological fluids: effect of the surfactant structure.Temperature effects upon aqueous micellar-assisted decarboxylation of 6-nitrobenzisoxazole-3-carboxylate and its 5-methyl derivative.From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions.A role for the autophagy regulator Transcription Factor EB in amiodarone-induced phospholipidosis.New potent antibacterials against Gram-positive multiresistant pathogens: effects of side chain modification and chirality in linezolid-like 1,2,4-oxadiazoles.Exposition and reactivity optimization to predict sites of metabolism in chemicals.Prediction of retention time in reversed-phase liquid chromatography as a tool for steroid identification.Phospholipidosis effect of drugs by adsorption into lipid monolayers.
P50
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P50
description
hulumtuese
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Laura Goracci
@ast
Laura Goracci
@en
Laura Goracci
@es
Laura Goracci
@nl
Laura Goracci
@sl
type
label
Laura Goracci
@ast
Laura Goracci
@en
Laura Goracci
@es
Laura Goracci
@nl
Laura Goracci
@sl
prefLabel
Laura Goracci
@ast
Laura Goracci
@en
Laura Goracci
@es
Laura Goracci
@nl
Laura Goracci
@sl
P1053
G-3974-2014
P106
P1153
6508278512
P21
P31
P3829
P496
0000-0002-9282-9013