Lista de obras - Angelo Carotti - Dominio Público Uruguay

1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationships

artículo científico publicado en 2008

1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor

artículo científico publicado en 2008

17β-Hydroxysteroid Dehydrogenase Type 2 Inhibition: Discovery of Selective and Metabolically Stable Compounds Inhibiting Both the Human Enzyme and Its Murine Ortholog

artículo científico publicado en 2015

3,4-Dihydroquinazoline derivatives inhibit the activities of cholinesterase enzymes

artículo científico publicado en 2017

8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2B.

artículo científico publicado en 2004

9,10-Anthraquinone hinders beta-aggregation: how does a small molecule interfere with Abeta-peptide amyloid fibrillation?

artículo científico publicado en 2009

A Round Trip from Medicinal Chemistry to Predictive Toxicology

artículo científico publicado en 2016

A chemocentric approach to the identification of cancer targets

artículo científico publicado en 2012

A k-NN algorithm for predicting the oral sub-chronic toxicity in the rat.

artículo científico publicado en 2014

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes

artículo científico publicado en 2013

Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering

artículo científico publicado en 2010

CE can identify small molecules that selectively target soluble oligomers of amyloid beta protein and display antifibrillogenic activity

artículo científico publicado en 2009

Carbamate prodrug concept for hydroxamate HDAC inhibitors

artículo científico publicado en 2011

Computational methods for the design of potent aromatase inhibitors

artículo científico publicado en 2013

Computer-aided structure-based design of multitarget leads for Alzheimer's disease.

artículo científico publicado en 2014

Coumarin: A Natural, Privileged and Versatile Scaffold for Bioactive Compounds

artículo científico publicado en 2018

Design, Synthesis, and Biological Evaluation of 2-Aminobenzanilide Derivatives as Potent and Selective HDAC Inhibitors

scientific article published on 24 May 2012

Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9

article by Orazio Nicolotti et al published December 2012 in European Journal of Medicinal Chemistry

Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase

artículo científico publicado en 2012

Design, synthesis and biological evaluation of indane-2-arylhydrazinylmethylene-1,3-diones and indol-2-aryldiazenylmethylene-3-ones as beta-amyloid aggregation inhibitors

artículo científico publicado en 2009

Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitors

artículo científico publicado en 2010

Design, synthesis, and biological evaluation of glycine-based molecular tongs as inhibitors of Abeta1-40 aggregation in vitro

artículo científico publicado en 2008

Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase

artículo científico publicado en 2011

Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor

artículo científico publicado en 2006

Discovery of a Potent and Selective Hetero-Bivalent AChE Inhibitor via Bioisosteric Replacement

scholarly article by Orazio Nicolotti et al published 14 March 2011 in Molecular Informatics

Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4′-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11β-hydroxylase

scholarly article by Angela Stefanachi et al published January 2015 in European Journal of Medicinal Chemistry

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data

artículo científico publicado en 2015

Exploring Basic Tail Modifications of Coumarin-Based Dual Acetylcholinesterase-Monoamine Oxidase B Inhibitors: Identification of Water-Soluble, Brain-Permeant Neuroprotective Multitarget Agents

artículo científico publicado en 2016

Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors.

artículo científico publicado en 2013

Galloyl benzamide-based compounds modulating tumour necrosis factor α-stimulated c-Jun N-terminal kinase and p38 mitogen-activated protein kinase signalling pathways

artículo científico publicado en 2015

Homo- and hetero-bivalent edrophonium-like ammonium salts as highly potent, dual binding site AChE inhibitors

artículo científico publicado en 2008

Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity

artículo científico publicado en 2011

Human recombinant monoamine oxidase B as reliable and efficient enzyme source for inhibitor screening

artículo científico publicado en 2005

Identification of compounds that inhibit growth of 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine-resistant cancer cells

artículo científico publicado en 2005

Impact of species-dependent differences on screening, design, and development of MAO B inhibitors

artículo científico publicado en 2006

In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.

artículo científico publicado en 2014

Inactivation of the glutamine/amino acid transporter ASCT2 by 1,2,3-dithiazoles: proteoliposomes as a tool to gain insights in the molecular mechanism of action and of antitumor activity

artículo científico publicado en 2012

Indenocinnoline derivatives as G-quadruplex binders, topoisomerase IIα inhibitors and antiproliferative agents

artículo científico publicado en 2017

Insights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: molecular dynamics simulations and free energy calculations

artículo científico publicado en 2011

Integration of QSAR models for bioconcentration suitable for REACH.

artículo científico publicado en 2013

Investigation of platelet aggregation inhibitory activity by phenyl amides and esters of piperidinecarboxylic acids

artículo científico publicado en 2003

Lipophilicity plays a major role in modulating the inhibition of monoamine oxidase B by 7-substituted coumarins

artículo científico publicado en 2006

Mind the Gap! A Journey towards Computational Toxicology

artículo científico publicado en 2016

Multitarget Therapeutic Leads for Alzheimer's Disease: Quinolizidinyl Derivatives of Bi- and Tricyclic Systems as Dual Inhibitors of Cholinesterases and β-Amyloid (Aβ) Aggregation

artículo científico publicado en 2015

Multitarget-directed tricyclic pyridazinones as G protein-coupled receptor ligands and cholinesterase inhibitors

artículo científico publicado en 2015

Natural and synthetic geiparvarins are strong and selective MAO-B inhibitors. Synthesis and SAR studies

artículo científico publicado en 2002

Neuronal nicotinic acetylcholine receptor agonists: pharmacophores, evolutionary QSAR and 3D-QSAR models

artículo científico publicado en 2004

Novel N-methylsulfonamide and retro-N-methylsulfonamide derivatives as 17β-hydroxysteroid dehydrogenase type 2 (17β-HSD2) inhibitors with good ADME-related physicochemical parameters

artículo científico

Novel, potent and selective 17β-hydroxysteroid dehydrogenase type 2 inhibitors as potential therapeutics for osteoporosis with dual human and mouse activities.

artículo científico publicado en 2014

Potent galloyl-based selective modulators targeting multidrug resistance associated protein 1 and P-glycoprotein

artículo científico publicado en 2011

Potent inhibitors of human LAT1 (SLC7A5) transporter based on dithiazole and dithiazine compounds for development of anticancer drugs.

artículo científico publicado en 2017

Quinolino[3,4-b]quinoxalines and pyridazino[4,3-c]quinoline derivatives: Synthesis, inhibition of topoisomerase IIα, G-quadruplex binding and cytotoxic properties.

artículo científico publicado en 2016

REACH and in silico methods: an attractive opportunity for medicinal chemists

artículo científico publicado en 2014

Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model

artículo científico publicado en 2010

Screening of matrix metalloproteinases available from the protein data bank: insights into biological functions, domain organization, and zinc binding groups

artículo científico publicado en 2007

Searching for Multi-Targeting Neurotherapeutics against Alzheimer's: Discovery of Potent AChE-MAO B Inhibitors through the Decoration of the 2H-Chromen-2-one Structural Motif.

artículo científico publicado en 2016

Solid phase synthesis of a molecular library of pyrimidines, pyrazoles, and isoxazoles with biological potential

article published in 2010

Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase

artículo científico publicado en 2007

Strategies of multi-objective optimization in drug discovery and development

artículo científico publicado en 2011

Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches

artículo científico publicado en 2006

Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases.

artículo científico publicado en 2015

Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs

artículo científico publicado en 2007

Studies on the antiplatelet and antithrombotic profile of anti-inflammatory coumarin derivatives

artículo científico publicado en 2015

Synthesis and Biological Evaluation of Novel Hybrid Molecules Containing Purine, Coumarin and Isoxazoline or Isoxazole Moieties

artículo científico publicado en 2017

Toward a fragment-based approach to MMPs inhibitors: an expedite and efficient synthesis of N-hydroxylactams

Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding

artículo científico publicado en 2014

Lista de obras de Angelo Carotti

1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationships

1-, 3- and 8-substituted-9-deazaxanthines as potent and selective antagonists at the human A2B adenosine receptor

17β-Hydroxysteroid Dehydrogenase Type 2 Inhibition: Discovery of Selective and Metabolically Stable Compounds Inhibiting Both the Human Enzyme and Its Murine Ortholog

3,4-Dihydroquinazoline derivatives inhibit the activities of cholinesterase enzymes

8-Substituted-9-deazaxanthines as adenosine receptor ligands: design, synthesis and structure-affinity relationships at A2B.

9,10-Anthraquinone hinders beta-aggregation: how does a small molecule interfere with Abeta-peptide amyloid fibrillation?

A Round Trip from Medicinal Chemistry to Predictive Toxicology

A chemocentric approach to the identification of cancer targets

A k-NN algorithm for predicting the oral sub-chronic toxicity in the rat.

An alternative QSAR-based approach for predicting the bioconcentration factor for regulatory purposes

Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering

CE can identify small molecules that selectively target soluble oligomers of amyloid beta protein and display antifibrillogenic activity

Carbamate prodrug concept for hydroxamate HDAC inhibitors

Computational methods for the design of potent aromatase inhibitors

Computer-aided structure-based design of multitarget leads for Alzheimer's disease.

Coumarin: A Natural, Privileged and Versatile Scaffold for Bioactive Compounds

Design, Synthesis, and Biological Evaluation of 2-Aminobenzanilide Derivatives as Potent and Selective HDAC Inhibitors

Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9

Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase

Design, synthesis and biological evaluation of indane-2-arylhydrazinylmethylene-1,3-diones and indol-2-aryldiazenylmethylene-3-ones as beta-amyloid aggregation inhibitors

Design, synthesis, and biological evaluation of coumarin derivatives tethered to an edrophonium-like fragment as highly potent and selective dual binding site acetylcholinesterase inhibitors

Design, synthesis, and biological evaluation of glycine-based molecular tongs as inhibitors of Abeta1-40 aggregation in vitro

Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-α-hydroxylase/C17-20 lyase

Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor

Discovery of a Potent and Selective Hetero-Bivalent AChE Inhibitor via Bioisosteric Replacement

Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4′-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11β-hydroxylase

Docking-based classification models for exploratory toxicology studies on high-quality estrogenic experimental data

Exploring Basic Tail Modifications of Coumarin-Based Dual Acetylcholinesterase-Monoamine Oxidase B Inhibitors: Identification of Water-Soluble, Brain-Permeant Neuroprotective Multitarget Agents

Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors.

Galloyl benzamide-based compounds modulating tumour necrosis factor α-stimulated c-Jun N-terminal kinase and p38 mitogen-activated protein kinase signalling pathways

Homo- and hetero-bivalent edrophonium-like ammonium salts as highly potent, dual binding site AChE inhibitors

Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity

Human recombinant monoamine oxidase B as reliable and efficient enzyme source for inhibitor screening

Identification of compounds that inhibit growth of 2-amino-1-methyl-6-phenylimidazo(4,5-b)pyridine-resistant cancer cells

Impact of species-dependent differences on screening, design, and development of MAO B inhibitors

In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors.

Inactivation of the glutamine/amino acid transporter ASCT2 by 1,2,3-dithiazoles: proteoliposomes as a tool to gain insights in the molecular mechanism of action and of antitumor activity

Indenocinnoline derivatives as G-quadruplex binders, topoisomerase IIα inhibitors and antiproliferative agents

Insights into the complex formed by matrix metalloproteinase-2 and alloxan inhibitors: molecular dynamics simulations and free energy calculations

Integration of QSAR models for bioconcentration suitable for REACH.

Investigation of platelet aggregation inhibitory activity by phenyl amides and esters of piperidinecarboxylic acids

Lipophilicity plays a major role in modulating the inhibition of monoamine oxidase B by 7-substituted coumarins

Mind the Gap! A Journey towards Computational Toxicology

Multitarget Therapeutic Leads for Alzheimer's Disease: Quinolizidinyl Derivatives of Bi- and Tricyclic Systems as Dual Inhibitors of Cholinesterases and β-Amyloid (Aβ) Aggregation

Multitarget-directed tricyclic pyridazinones as G protein-coupled receptor ligands and cholinesterase inhibitors

Natural and synthetic geiparvarins are strong and selective MAO-B inhibitors. Synthesis and SAR studies

Neuronal nicotinic acetylcholine receptor agonists: pharmacophores, evolutionary QSAR and 3D-QSAR models

Novel N-methylsulfonamide and retro-N-methylsulfonamide derivatives as 17β-hydroxysteroid dehydrogenase type 2 (17β-HSD2) inhibitors with good ADME-related physicochemical parameters

Novel, potent and selective 17β-hydroxysteroid dehydrogenase type 2 inhibitors as potential therapeutics for osteoporosis with dual human and mouse activities.

Potent galloyl-based selective modulators targeting multidrug resistance associated protein 1 and P-glycoprotein

Potent inhibitors of human LAT1 (SLC7A5) transporter based on dithiazole and dithiazine compounds for development of anticancer drugs.

Quinolino[3,4-b]quinoxalines and pyridazino[4,3-c]quinoline derivatives: Synthesis, inhibition of topoisomerase IIα, G-quadruplex binding and cytotoxic properties.

REACH and in silico methods: an attractive opportunity for medicinal chemists

Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics model

Screening of matrix metalloproteinases available from the protein data bank: insights into biological functions, domain organization, and zinc binding groups

Searching for Multi-Targeting Neurotherapeutics against Alzheimer's: Discovery of Potent AChE-MAO B Inhibitors through the Decoration of the 2H-Chromen-2-one Structural Motif.

Solid phase synthesis of a molecular library of pyrimidines, pyrazoles, and isoxazoles with biological potential

Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase

Strategies of multi-objective optimization in drug discovery and development

Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches

Structure-Based Design and Optimization of Multitarget-Directed 2H-Chromen-2-one Derivatives as Potent Inhibitors of Monoamine Oxidase B and Cholinesterases.

Structures of human monoamine oxidase B complexes with selective noncovalent inhibitors: safinamide and coumarin analogs

Studies on the antiplatelet and antithrombotic profile of anti-inflammatory coumarin derivatives

Synthesis and Biological Evaluation of Novel Hybrid Molecules Containing Purine, Coumarin and Isoxazoline or Isoxazole Moieties

Toward a fragment-based approach to MMPs inhibitors: an expedite and efficient synthesis of N-hydroxylactams

Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding