List of works - 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

scientific article

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

scientific article

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

scientific article

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

scientific article

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

scientific article

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

scientific article published on April 2009

A Round Trip from Medicinal Chemistry to Predictive Toxicology

scientific article published on January 2016

A chemocentric approach to the identification of cancer targets

scientific article

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

scientific article published on 10 July 2014

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

scientific article published on 13 November 2013

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

scientific article

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

scientific article

Carbamate prodrug concept for hydroxamate HDAC inhibitors

scientific article

Computational methods for the design of potent aromatase inhibitors

scientific article published on 04 February 2013

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

scientific article

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

scientific article

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

scientific article

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

scientific article published on 23 December 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

scientific article published on September 2010

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

scientific article published on 25 March 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

scientific article published on 22 February 2011

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

scientific article

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

scientific article

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

scientific article published on 27 June 2016

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

scientific article published on 17 October 2013

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

scientific article published on 16 June 2015

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

scientific article published on 14 June 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

scientific article

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

scientific article published on 27 July 2005

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

scientific article published on June 2005

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

scientific article

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

scientific article published on 13 October 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

scientific article

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

scientific article published on 11 March 2017

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

scientific article

Integration of QSAR models for bioconcentration suitable for REACH.

scientific article published on 24 April 2013

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

scientific article (publication date: 3 April 2003)

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

scientific article published in February 2006

Mind the Gap! A Journey towards Computational Toxicology

scientific article published on 13 April 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

scientific article published on 29 April 2015

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

scientific article published on 29 April 2015

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

scientific article (publication date: 16 December 2002)

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

scientific article published on January 2004

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

scientific article published on 29 August 2013

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

scientific article

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

scientific article

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

scientific article published on 11 July 2017

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

scientific article published on 28 July 2016

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

scientific article

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

scientific article

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

scientific article

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.

scientific article published on 17 March 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

scientific article (publication date: 4 October 2007)

Strategies of multi-objective optimization in drug discovery and development

scientific article

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

scientific article

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

scientific article

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

scientific article

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

scientific article

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

scientific article published on 30 November 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

scientific article

List of works by 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