Lista de obras - Laura Goracci - Dominio Público Uruguay

A Broad Anti-influenza Hybrid Small Molecule That Potently Disrupts the Interaction of Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Subunits

artículo científico publicado en 2015

A Novel Lipidomics-Based Approach to Evaluating the Risk of Clinical Hepatotoxicity Potential of Drugs in 3D Human Microtissues

scientific article published on 24 December 2019

A Rational Approach for the Identification of Non-Hydroxamate HDAC6-Selective Inhibitors

artículo científico publicado en 2016

A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields

artículo científico publicado en 2011

A novel small-molecule inhibitor of the human papillomavirus E6-p53 interaction that reactivates p53 function and blocks cancer cells growth

scientific article published on 03 November 2019

A role for the autophagy regulator Transcription Factor EB in amiodarone-induced phospholipidosis

artículo científico publicado en 2015

Anomalous Behavior of Amine Oxide Surfactants at the Air/Water Interface

scientific article published on 12 September 2007

Are carboxylic esters really refractory to DAST? On the fluorination of α-hydroxyesters with DAST

BioGPS: The Music for the Chemo- and Bioinformatics Walzer

artículo científico publicado en 2014

BioGPS: navigating biological space to predict polypharmacology, off-targeting, and selectivity.

artículo científico publicado en 2015

Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields

artículo científico publicado en 2015

Computational solutions in redox lipidomics - Current strategies and future perspectives

scientific article published on 26 April 2019

Corrigendum to "Exploring the cycloheptathiophene-3-carboxamide scaffold to disrupt the interactions of the influenza polymerase subunits and obtain potent anti-influenza activity" [Eur. J. Med. Chem. 138 (2017) 128-139]

artículo científico publicado en 2018

Cyto- and enzyme toxicities of ionic liquids modelled on the basis of VolSurf+ descriptors and their principal properties

article

Decarboxylation and Dephosphorylation in New Gemini Surfactants. Changes in Aggregate Structures

article published in 2002

Dehydrogenation of Amines to Nitriles in Aqueous Micelles

Delving into the Polar Lipidome by Optimized Chromatographic Separation, High-Resolution Mass Spectrometry, and Comprehensive Identification with Lipostar: Microalgae as Case Study

scientific article published on 24 September 2018

Easy and Efficient Procedure for Preparation of Symmetric Organic Carbonates in Ionic Liquid

article by G. Savelli et al published 1 July 2006 in Letters in Organic Chemistry

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

artículo científico publicado en 2017

Evaluating the risk of phospholipidosis using a new multidisciplinary pipeline approach

artículo científico publicado en 2014

Exploring the cycloheptathiophene-3-carboxamide scaffold to disrupt the interactions of the influenza polymerase subunits and obtain potent anti-influenza activity

artículo científico publicado en 2017

Exposition and reactivity optimization to predict sites of metabolism in chemicals.

artículo científico publicado en 2013

Extending pKa prediction accuracy: high-throughput pKa measurements to understand pKa modulation of new chemical series

artículo científico publicado en 2010

Flavin monooxygenase metabolism: why medicinal chemists should matter.

artículo científico publicado en 2014

From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions.

artículo científico publicado en 2017

GRID-based three-dimensional pharmacophores I: FLAPpharm, a novel approach for pharmacophore elucidation

artículo científico publicado en 2012

Hoechst 33258 as a pH-sensitive probe to study the interaction of amine oxide surfactants with DNA.

artículo científico publicado en 2005

Human cytomegalovirus inhibitor AL18 also possesses activity against influenza A and B viruses

artículo científico publicado en 2012

Improved Potency of Indole-Based NorA Efflux Pump Inhibitors: From Serendipity toward Rational Design and Development.

artículo científico publicado en 2016

Indole Based Weapons to Fight Antibiotic Resistance: A Structure-Activity Relationship Study

artículo científico publicado en 2016

Integrating Crystallography into Early Metabolism Studies

scholarly article published 2009

Interaction between DNA and cationic amphiphiles: a multi-technique study

artículo científico publicado en 2010

LC/MS lipid profiling from human serum: a new method for global lipid extraction

article published in 2014

Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists

scientific article published on 12 October 2012

Lipostar, a Comprehensive Platform-Neutral Cheminformatics Tool for Lipidomics

artículo científico publicado en 2017

Merging computational modelling and experimental metabolite identification for toxicity prediction

scholarly article by Gabriele Cruciani et al published September 2014 in Toxicology Letters

Metabolism of JWH-015, JWH-098, JWH-251, and JWH-307 in silico and in vitro: a pilot study for the detection of unknown synthetic cannabinoids metabolites

artículo científico publicado en 2014

Metabolism study and biological evaluation of bosentan derivatives

artículo científico publicado en 2016

Modeling Phospholipidosis Induction: Reliability and Warnings

article

Modeling from Theory and Modeling from Data: Complementary or Alternative Approaches? The Case of Ionic Liquids

artículo científico publicado en 2017

Modeling, design and synthesis of new heteroaryl ethylenes active against the MCF-7 breast cancer cell-line

artículo científico publicado en 2013

Modelling the aquatic toxicity of ionic liquids by means of VolSurfin silicodescriptors

article

New linezolid-like 1,2,4-oxadiazoles active against Gram-positive multiresistant pathogens.

artículo científico publicado en 2013

New potent antibacterials against Gram-positive multiresistant pathogens: effects of side chain modification and chirality in linezolid-like 1,2,4-oxadiazoles.

artículo científico publicado en 2014

Nutritional and lipidomics biomarkers of docosahexaenoic acid-based multivitamin therapy in pediatric NASH

scientific article published in Scientific Reports

Optimization of small-molecule inhibitors of influenza virus polymerase: from thiophene-3-carboxamide to polyamido scaffolds

artículo científico publicado en 2014

Passive Intestinal Absorption of Representative Plant Secondary Metabolites: A Physicochemical Study

artículo científico publicado en 2017

Pharmacophore-based discovery of inhibitors of a novel drug/proton antiporter in human brain endothelial hCMEC/D3 cell line

artículo científico publicado en 2015

Phospholipidosis effect of drugs by adsorption into lipid monolayers.

artículo científico publicado en 2015

Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Protein-Protein Interaction as a Target for Next-Generation Anti-influenza Therapeutics.

artículo científico publicado en 2016

Prediction of retention time in reversed-phase liquid chromatography as a tool for steroid identification.

artículo científico publicado en 2016

Premicellar Accelerated Decarboxylation of 6-Nitrobenzisoxazole-3-carboxylate Ion and Its 5-Tetradecyloxy Derivative

artículo científico publicado en 2007

Small molecule inhibitors of influenza A and B viruses that act by disrupting subunit interactions of the viral polymerase

artículo científico publicado en 2012

Some considerations on the predictions of pharmacokinetic alterations in subjects with liver disease

artículo científico publicado en 2014

Structural investigation of cycloheptathiophene-3-carboxamide derivatives targeting influenza virus polymerase assembly

artículo científico publicado en 2013

Structure-metabolism relationships in human-AOX: Chemical insights from a large database of aza-aromatic and amide compounds.

artículo científico publicado en 2017

Surfactant-based photorheological fluids: effect of the surfactant structure

artículo científico publicado en 2009

Synthesis and phospholipidosis effect of a series of cationic amphiphilic compounds: a case study to evaluate in silico and in vitro assays

article by Susan Lepri et al published 25 October 2017 in Medicinal Chemistry Research

Synthesis of new indole-based bisphosphonates and evaluation of their chelating ability in PE/CA-PJ15 cells

artículo científico publicado en 2015

Temperature effects upon aqueous micellar-assisted decarboxylation of 6-nitrobenzisoxazole-3-carboxylate and its 5-methyl derivative

artículo científico publicado en 2006

Understanding the Metabolism of Proteolysis Targeting Chimeras (PROTACs): The Next Step toward Pharmaceutical Applications

artículo científico publicado en 2020

Use of lipidomics to investigate sebum dysfunction in juvenile acne

artículo científico publicado en 2016

Use of the Distribution Coefficient in Brain Polar Lipids for the Assessment of Drug-Induced Phospholipidosis Risk

artículo científico publicado en 2017

α-Chymotrypsin superactivity in quaternary ammonium salt solution: kinetic and computational studies

scholarly article in RSC Advances, vol. 6 no. 52, 2016

Lista de obras de Laura Goracci

A Broad Anti-influenza Hybrid Small Molecule That Potently Disrupts the Interaction of Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Subunits

A Novel Lipidomics-Based Approach to Evaluating the Risk of Clinical Hepatotoxicity Potential of Drugs in 3D Human Microtissues

A Rational Approach for the Identification of Non-Hydroxamate HDAC6-Selective Inhibitors

A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields

A novel small-molecule inhibitor of the human papillomavirus E6-p53 interaction that reactivates p53 function and blocks cancer cells growth

A role for the autophagy regulator Transcription Factor EB in amiodarone-induced phospholipidosis

Anomalous Behavior of Amine Oxide Surfactants at the Air/Water Interface

Are carboxylic esters really refractory to DAST? On the fluorination of α-hydroxyesters with DAST

BioGPS: The Music for the Chemo- and Bioinformatics Walzer

BioGPS: navigating biological space to predict polypharmacology, off-targeting, and selectivity.

Challenging AQP4 druggability for NMO-IgG antibody binding using molecular dynamics and molecular interaction fields

Computational solutions in redox lipidomics - Current strategies and future perspectives

Corrigendum to "Exploring the cycloheptathiophene-3-carboxamide scaffold to disrupt the interactions of the influenza polymerase subunits and obtain potent anti-influenza activity" [Eur. J. Med. Chem. 138 (2017) 128-139]

Cyto- and enzyme toxicities of ionic liquids modelled on the basis of VolSurf+ descriptors and their principal properties

Decarboxylation and Dephosphorylation in New Gemini Surfactants. Changes in Aggregate Structures

Dehydrogenation of Amines to Nitriles in Aqueous Micelles

Delving into the Polar Lipidome by Optimized Chromatographic Separation, High-Resolution Mass Spectrometry, and Comprehensive Identification with Lipostar: Microalgae as Case Study

Easy and Efficient Procedure for Preparation of Symmetric Organic Carbonates in Ionic Liquid

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

Evaluating the risk of phospholipidosis using a new multidisciplinary pipeline approach

Exploring the cycloheptathiophene-3-carboxamide scaffold to disrupt the interactions of the influenza polymerase subunits and obtain potent anti-influenza activity

Exposition and reactivity optimization to predict sites of metabolism in chemicals.

Extending pKa prediction accuracy: high-throughput pKa measurements to understand pKa modulation of new chemical series

Flavin monooxygenase metabolism: why medicinal chemists should matter.

From Experiments to a Fast Easy-to-Use Computational Methodology to Predict Human Aldehyde Oxidase Selectivity and Metabolic Reactions.

GRID-based three-dimensional pharmacophores I: FLAPpharm, a novel approach for pharmacophore elucidation

Hoechst 33258 as a pH-sensitive probe to study the interaction of amine oxide surfactants with DNA.

Human cytomegalovirus inhibitor AL18 also possesses activity against influenza A and B viruses

Improved Potency of Indole-Based NorA Efflux Pump Inhibitors: From Serendipity toward Rational Design and Development.

Indole Based Weapons to Fight Antibiotic Resistance: A Structure-Activity Relationship Study

Integrating Crystallography into Early Metabolism Studies

Interaction between DNA and cationic amphiphiles: a multi-technique study

LC/MS lipid profiling from human serum: a new method for global lipid extraction

Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists

Lipostar, a Comprehensive Platform-Neutral Cheminformatics Tool for Lipidomics

Merging computational modelling and experimental metabolite identification for toxicity prediction

Metabolism of JWH-015, JWH-098, JWH-251, and JWH-307 in silico and in vitro: a pilot study for the detection of unknown synthetic cannabinoids metabolites

Metabolism study and biological evaluation of bosentan derivatives

Modeling Phospholipidosis Induction: Reliability and Warnings

Modeling from Theory and Modeling from Data: Complementary or Alternative Approaches? The Case of Ionic Liquids

Modeling, design and synthesis of new heteroaryl ethylenes active against the MCF-7 breast cancer cell-line

Modelling the aquatic toxicity of ionic liquids by means of VolSurfin silicodescriptors

New linezolid-like 1,2,4-oxadiazoles active against Gram-positive multiresistant pathogens.

New potent antibacterials against Gram-positive multiresistant pathogens: effects of side chain modification and chirality in linezolid-like 1,2,4-oxadiazoles.

Nutritional and lipidomics biomarkers of docosahexaenoic acid-based multivitamin therapy in pediatric NASH

Optimization of small-molecule inhibitors of influenza virus polymerase: from thiophene-3-carboxamide to polyamido scaffolds

Passive Intestinal Absorption of Representative Plant Secondary Metabolites: A Physicochemical Study

Pharmacophore-based discovery of inhibitors of a novel drug/proton antiporter in human brain endothelial hCMEC/D3 cell line

Phospholipidosis effect of drugs by adsorption into lipid monolayers.

Polymerase Acidic Protein-Basic Protein 1 (PA-PB1) Protein-Protein Interaction as a Target for Next-Generation Anti-influenza Therapeutics.

Prediction of retention time in reversed-phase liquid chromatography as a tool for steroid identification.

Premicellar Accelerated Decarboxylation of 6-Nitrobenzisoxazole-3-carboxylate Ion and Its 5-Tetradecyloxy Derivative

Small molecule inhibitors of influenza A and B viruses that act by disrupting subunit interactions of the viral polymerase

Some considerations on the predictions of pharmacokinetic alterations in subjects with liver disease

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.

Surfactant-based photorheological fluids: effect of the surfactant structure

Synthesis and phospholipidosis effect of a series of cationic amphiphilic compounds: a case study to evaluate in silico and in vitro assays

Synthesis of new indole-based bisphosphonates and evaluation of their chelating ability in PE/CA-PJ15 cells

Temperature effects upon aqueous micellar-assisted decarboxylation of 6-nitrobenzisoxazole-3-carboxylate and its 5-methyl derivative

Understanding the Metabolism of Proteolysis Targeting Chimeras (PROTACs): The Next Step toward Pharmaceutical Applications

Use of lipidomics to investigate sebum dysfunction in juvenile acne

Use of the Distribution Coefficient in Brain Polar Lipids for the Assessment of Drug-Induced Phospholipidosis Risk

α-Chymotrypsin superactivity in quaternary ammonium salt solution: kinetic and computational studies