List of works - Andrea Carotti

4,5-Diarylisoxazol-3-carboxylic acids: A new class of leukotriene biosynthesis inhibitors potentially targeting 5-lipoxygenase-activating protein (FLAP)

scholarly article by Erden Banoglu et al published May 2016 in European Journal of Medicinal Chemistry

A rational approach to elucidate human monoamine oxidase molecular selectivity

scientific article published on 7 February 2017

An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors

scientific article published on 10 June 2008

Asymmetric synthesis of the four diastereoisomers of a novel non-steroidal farnesoid X receptor (FXR) agonist: role of the chirality on the biological activity

scientific article

Beyond bile acids: targeting Farnesoid X Receptor (FXR) with natural and synthetic ligands

scientific article

Binding models of reversible inhibitors to type-B monoamine oxidase

scientific article

Binding modes identification through molecular dynamic simulations: A case study with carnosine enantiomers and the Teicoplanin A2-2-based chiral stationary phase

scientific article published on 29 February 2020

Binding properties of different categories of IDO1 inhibitors: a microscale thermophoresis study

scientific article

Chiral mobile phase in ligand-exchange chromatography of amino acids: Exploring the copper(II) salt anion effect with a computational approach ⬇️

scientific article published on August 16, 2012

Chromatographic separation of free dafachronic acid epimers with a novel triazole click quinidine-based chiral stationary phase

scientific article published on 06 March 2014

Concepts and Molecular Aspects in the Polypharmacology of PARP-1 Inhibitors.

scientific article published on October 2015

Design, Synthesis, Crystallographic Studies, and Preliminary Biological Appraisal of New Substituted Triazolo[4,3- b ]pyridazin-8-amine Derivatives as Tankyrase Inhibitors

scientific article

Diastereo- and enantioseparation of a Nα-Boc amino acid with a zwitterionic quinine-based stationary phase: Focus on the stereorecognition mechanism

scientific article published on 09 June 2015

Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders

scientific article published on 04 October 2016

Discovery of Novel 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors by Exploiting a Multistep Virtual Screening Protocol

scientific article published on 24 February 2020

Dissecting the allosteric FXR modulation: a chemical biology approach using guggulsterone as a chemical tool

scientific article published on 24 June 2019

Docking Studies and Molecular Dynamic Simulations Reveal Different Features of IDO1 Structure

scientific article published on 19 July 2016

Enantioresolution and stereochemical characterization of two chiral sulfoxides endowed with COX-2 inhibitory activity.

scientific article published on 5 July 2017

Enantioresolution, stereochemical characterization and biological activity of a chiral large-conductance calcium-activated potassium channel opener

Enantioselective HPLC Analysis to Assist the Chemical Exploration of Chiral Imidazolines

scientific article published on 02 February 2020

Ester derivatives of annulated tetrahydroazocines: a new class of selective acetylcholinesterase inhibitors.

scientific article

Exploiting Chemical Toolboxes for the Expedited Generation of Tetracyclic Quinolines as a Novel Class of PXR Agonists

scientific article published on 27 December 2018

Exploring the effect of PARP-1 flexibility in docking studies

scientific article

Exploring the enantiorecognition mechanism of Cinchona alkaloid-based zwitterionic chiral stationary phases and the basic trans-paroxetine enantiomers.

scientific article

Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.

scientific article

Flow synthesis and biological activity of aryl sulfonamides as selective carbonic anhydrase IX and XII inhibitors

scientific article published on 04 June 2014

Fluorinated benzyloxyphenyl piperidine-4-carboxamides with dual function against thrombosis: inhibitors of factor Xa and platelet aggregation.

scientific article published in February 2009

From polypharmacology to target specificity: the case of PARP inhibitors

scientific article published on January 2013

High affinity central benzodiazepine receptor ligands. Part 3: insights into the pharmacophore and pattern recognition study of intrinsic activities of pyrazolo[4,3-c]quinolin-3-ones.

scientific article published in November 2003

Hydrophilic interaction liquid chromatography of aminoglycoside antibiotics with a diol-type stationary phase

scientific article published on 06 August 2018

Investigating the allosteric reverse signalling of PARP inhibitors with microsecond molecular dynamic simulations and fluorescence anisotropy

scientific article published on 22 July 2014

Ketoprofen enantioseparation with a Cinchona alkaloid based stationary phase: enantiorecognition mechanism and release studies.

scientific article

Lipophilicity-related inhibition of blood platelet aggregation by nipecotic acid anilides

scientific article

Mechanistic considerations of enantiorecognition on novel Cinchona alkaloid-based zwitterionic chiral stationary phases from the aspect of the separation of trans-paroxetine enantiomers as model compounds

scientific article published on 27 February 2016

Molecular interaction fields and 3D-QSAR studies of p53-MDM2 inhibitors suggest additional features of ligand-target interaction

scientific article

N-Aryl-5-aminopyrazole: a versatile architecture in medicinal chemistry

scientific article published on January 2015

N-Decyl-S-trityl-(R)-cysteine, a new chiral selector for "green" ligand-exchange chromatography applications

scientific article published on 5 February 2017

New Insights from Crystallographic Data: Diversity of Structural Motifs and Molecular Recognition Properties between Groups of IDO1 Structures

scientific article published on 19 March 2020

One-pot, telescoped synthesis of N-aryl-5-aminopyrazoles from anilines in environmentally benign conditions

scholarly article in RSC Advances, vol. 4 no. 14, 2014

Pyrazole[3,4-e][1,4]thiazepin-7-one derivatives as a novel class of Farnesoid X Receptor (FXR) agonists

scientific article published on 20 April 2012

Quantum mechanics/molecular mechanics (QM/MM) modeling of the irreversible transamination of L-kynurenine to kynurenic acid: the round dance of kynurenine aminotransferase II.

scientific article

Quinine-Based Zwitterionic Chiral Stationary Phase as a Complementary Tool for Peptide Analysis: Mobile Phase Effects on Enantio- and Stereoselectivity of Underivatized Oligopeptides

scientific article published on 20 October 2015

Reshaping antibiotics through hydrophobic drug-bile acid ionic complexation enhances activity against Staphylococcus aureus biofilms

scientific article published on 5 June 2017

Scaffold hopping approach on the route to selective tankyrase inhibitors

scientific article published on 5 October 2014

Sequence variants in kynurenine aminotransferase II (KAT II) orthologs determine different potencies of the inhibitor S-ESBA.

scientific article

Synthesis and biological evaluation of C(5)-substituted derivatives of leukotriene biosynthesis inhibitor BRP-7.

scientific article published on 5 July 2016

Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity

scientific article published on 22 October 2013

Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification.

scientific article published on 11 December 2017

Targeting Wnt-driven cancers: Discovery of novel tankyrase inhibitors

scientific article published on 7 October 2017

Targeting the conformational transitions of MDM2 and MDMX: insights into dissimilarities and similarities of p53 recognition

scientific article published in October 2008

Targeting the conformational transitions of MDM2 and MDMX: insights into key residues affecting p53 recognition.

scientific article published in November 2009

The "racemic approach" in the evaluation of the enantiomeric NorA efflux pump inhibition activity of 2-phenylquinoline derivatives.

scientific article published on 4 July 2016

The Janus-faced nature of IDO1 in infectious diseases: challenges and therapeutic opportunities.

scientific article published on 21 December 2015

Tracking Hidden Binding Pockets Along the Molecular Recognition Path of l-Trp to Indoleamine 2,3-Dioxygenase 1

scientific article published on 14 November 2019

α-Amino-β-carboxymuconate-ε-semialdehyde Decarboxylase (ACMSD) Inhibitors as Novel Modulators of De Novo Nicotinamide Adenine Dinucleotide (NAD+) Biosynthesis

scientific article published on 18 January 2018

List of works by Andrea Carotti

4,5-Diarylisoxazol-3-carboxylic acids: A new class of leukotriene biosynthesis inhibitors potentially targeting 5-lipoxygenase-activating protein (FLAP)

A rational approach to elucidate human monoamine oxidase molecular selectivity

An integrated approach to ligand- and structure-based drug design: development and application to a series of serine protease inhibitors

Asymmetric synthesis of the four diastereoisomers of a novel non-steroidal farnesoid X receptor (FXR) agonist: role of the chirality on the biological activity

Beyond bile acids: targeting Farnesoid X Receptor (FXR) with natural and synthetic ligands

Binding models of reversible inhibitors to type-B monoamine oxidase

Binding modes identification through molecular dynamic simulations: A case study with carnosine enantiomers and the Teicoplanin A2-2-based chiral stationary phase

Binding properties of different categories of IDO1 inhibitors: a microscale thermophoresis study

Chiral mobile phase in ligand-exchange chromatography of amino acids: Exploring the copper(II) salt anion effect with a computational approach ⬇️

Chromatographic separation of free dafachronic acid epimers with a novel triazole click quinidine-based chiral stationary phase

Concepts and Molecular Aspects in the Polypharmacology of PARP-1 Inhibitors.

Design, Synthesis, Crystallographic Studies, and Preliminary Biological Appraisal of New Substituted Triazolo[4,3- b ]pyridazin-8-amine Derivatives as Tankyrase Inhibitors

Diastereo- and enantioseparation of a Nα-Boc amino acid with a zwitterionic quinine-based stationary phase: Focus on the stereorecognition mechanism

Discovery of 3α,7α,11β-Trihydroxy-6α-ethyl-5β-cholan-24-oic Acid (TC-100), a Novel Bile Acid as Potent and Highly Selective FXR Agonist for Enterohepatic Disorders

Discovery of Novel 5-Lipoxygenase-Activating Protein (FLAP) Inhibitors by Exploiting a Multistep Virtual Screening Protocol

Dissecting the allosteric FXR modulation: a chemical biology approach using guggulsterone as a chemical tool

Docking Studies and Molecular Dynamic Simulations Reveal Different Features of IDO1 Structure

Enantioresolution and stereochemical characterization of two chiral sulfoxides endowed with COX-2 inhibitory activity.

Enantioresolution, stereochemical characterization and biological activity of a chiral large-conductance calcium-activated potassium channel opener

Enantioselective HPLC Analysis to Assist the Chemical Exploration of Chiral Imidazolines

Ester derivatives of annulated tetrahydroazocines: a new class of selective acetylcholinesterase inhibitors.

Exploiting Chemical Toolboxes for the Expedited Generation of Tetracyclic Quinolines as a Novel Class of PXR Agonists

Exploring the effect of PARP-1 flexibility in docking studies

Exploring the enantiorecognition mechanism of Cinchona alkaloid-based zwitterionic chiral stationary phases and the basic trans-paroxetine enantiomers.

Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3α,7α-dihydroxy-6α-ethyl-24-nor-5β-cholan-23-amine.

Flow synthesis and biological activity of aryl sulfonamides as selective carbonic anhydrase IX and XII inhibitors

Fluorinated benzyloxyphenyl piperidine-4-carboxamides with dual function against thrombosis: inhibitors of factor Xa and platelet aggregation.

From polypharmacology to target specificity: the case of PARP inhibitors

High affinity central benzodiazepine receptor ligands. Part 3: insights into the pharmacophore and pattern recognition study of intrinsic activities of pyrazolo[4,3-c]quinolin-3-ones.

Hydrophilic interaction liquid chromatography of aminoglycoside antibiotics with a diol-type stationary phase

Investigating the allosteric reverse signalling of PARP inhibitors with microsecond molecular dynamic simulations and fluorescence anisotropy

Ketoprofen enantioseparation with a Cinchona alkaloid based stationary phase: enantiorecognition mechanism and release studies.

Lipophilicity-related inhibition of blood platelet aggregation by nipecotic acid anilides

Mechanistic considerations of enantiorecognition on novel Cinchona alkaloid-based zwitterionic chiral stationary phases from the aspect of the separation of trans-paroxetine enantiomers as model compounds

Molecular interaction fields and 3D-QSAR studies of p53-MDM2 inhibitors suggest additional features of ligand-target interaction

N-Aryl-5-aminopyrazole: a versatile architecture in medicinal chemistry

N-Decyl-S-trityl-(R)-cysteine, a new chiral selector for "green" ligand-exchange chromatography applications

New Insights from Crystallographic Data: Diversity of Structural Motifs and Molecular Recognition Properties between Groups of IDO1 Structures

One-pot, telescoped synthesis of N-aryl-5-aminopyrazoles from anilines in environmentally benign conditions

Pyrazole[3,4-e][1,4]thiazepin-7-one derivatives as a novel class of Farnesoid X Receptor (FXR) agonists

Quantum mechanics/molecular mechanics (QM/MM) modeling of the irreversible transamination of L-kynurenine to kynurenic acid: the round dance of kynurenine aminotransferase II.

Quinine-Based Zwitterionic Chiral Stationary Phase as a Complementary Tool for Peptide Analysis: Mobile Phase Effects on Enantio- and Stereoselectivity of Underivatized Oligopeptides

Reshaping antibiotics through hydrophobic drug-bile acid ionic complexation enhances activity against Staphylococcus aureus biofilms

Scaffold hopping approach on the route to selective tankyrase inhibitors

Sequence variants in kynurenine aminotransferase II (KAT II) orthologs determine different potencies of the inhibitor S-ESBA.

Synthesis and biological evaluation of C(5)-substituted derivatives of leukotriene biosynthesis inhibitor BRP-7.

Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity

Synthesis, physicochemical properties, and biological activity of bile acids 3-glucuronides: Novel insights into bile acid signalling and detoxification.

Targeting Wnt-driven cancers: Discovery of novel tankyrase inhibitors

Targeting the conformational transitions of MDM2 and MDMX: insights into dissimilarities and similarities of p53 recognition

Targeting the conformational transitions of MDM2 and MDMX: insights into key residues affecting p53 recognition.

The "racemic approach" in the evaluation of the enantiomeric NorA efflux pump inhibition activity of 2-phenylquinoline derivatives.

The Janus-faced nature of IDO1 in infectious diseases: challenges and therapeutic opportunities.

Tracking Hidden Binding Pockets Along the Molecular Recognition Path of l-Trp to Indoleamine 2,3-Dioxygenase 1

α-Amino-β-carboxymuconate-ε-semialdehyde Decarboxylase (ACMSD) Inhibitors as Novel Modulators of De Novo Nicotinamide Adenine Dinucleotide (NAD+) Biosynthesis