A. Carotti

发表

Targeting Wnt-driven cancers: Discovery of novel tankyrase inhibitors.

A. Macchiarulo, E. Camaioni, Martina Ferri, 2017, European journal of medicinal chemistry.

Navigations of chemical space to further the understanding of polypharmacology in human nuclear receptors

A. Macchiarulo, A. Gioiello, A. Carotti, 2013 .

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

R. Pellicciari, A. Macchiarulo, A. Gioiello, 2014, Current topics in medicinal chemistry.

Mixed-mode chromatography characteristics of chiralpak ZWIX(+) and ZWIX(-) and elucidation of their chromatographic orthogonality for LC × LC application.

Martina Ferri, A. Carotti, R. Sardella, 2020, Analytica chimica acta.

A rational approach to elucidate human monoamine oxidase molecular selectivity

G. Lattanzi, D. Alberga, G. Mangiatordi, 2017, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

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

B. Natalini, A. Carotti, M. Marinozzi, 2014 .

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

L. Adorini, G. Costantino, R. Pellicciari, 2011, Bioorganic & medicinal chemistry.

Neuronal nicotinic receptor agonists: a multi-approach development of the pharmacophore

Ferran Sanz, Cosimo Altomare, Antonio Carrieri, 2001, J. Comput. Aided Mol. Des..

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

A. V. Varlamov, M. de Candia, M. Catto, 2006, Bioorganic & medicinal chemistry.

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.

G. Biggio, F. Busonero, M. P. Mascia, 2003, Bioorganic & medicinal chemistry.

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

A. Macchiarulo, E. Camaioni, A. Gioiello, 2016, Future medicinal chemistry.

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

B. Natalini, R. Pellicciari, A. Carotti, 2013, Bioorganic & medicinal chemistry.

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

L. Adorini, B. Natalini, R. Pellicciari, 2012, Bioorganic & medicinal chemistry.

Molecular Interaction Fields and 3D-QSAR Studies of p53-MDM2 Inhibitors Suggest Additional Features of Ligand-Target Interaction

Matteo Magnani, Gabriele Cruciani, Andrea Carotti, 2010, J. Chem. Inf. Model..

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.

A. Moschetta, R. Gadaleta, A. Roda, 2016, Journal of medicinal chemistry.

Combining molecular modeling approaches to establish the chromatographic enantiomer elution order in the absence of pure enantiomeric standards: A study case with two tetracyclic quinolines

A. Gioiello, A. Carotti, R. Sardella, 2022, SEPARATION SCIENCE PLUS.

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

U. Grohmann, A. Mammoli, A. Macchiarulo, 2020, ChemMedChem.

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

A. Carotti, M. Marinozzi, Gloria Marcelli, 2015, Mini reviews in medicinal chemistry.

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

P. Carrupt, B. Testa, B. Cosimelli, 2002, Bioorganic & medicinal chemistry letters.

Sequence Variants in Kynurenine Aminotransferase II (KAT II) Orthologs Determine Different Potencies of the Inhibitor S‐ESBA

R. Schwarcz, R. Pellicciari, A. Macchiarulo, 2008, ChemMedChem.

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

J. Auwerx, E. Katsyuba, R. Pellicciari, 2018, Journal of medicinal chemistry.

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

P. Carrupt, R. Caliandro, M. de Candia, 2013, Journal of medicinal chemistry.

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

M. de Candia, R. De Cristofaro, A. Carotti, 2009, Journal of medicinal chemistry.

Investigation on the antiplatelet activity of pyrrolo[3,2‐c]pyridine‐containing compounds

A. V. Varlamov, A. Carotti, C. Altomare, 2003, The Journal of pharmacy and pharmacology.

Fragment based drug design and diversity-oriented synthesis of carboxylic acid isosteres.

A. Mammoli, A. Macchiarulo, E. Camaioni, 2020, Bioorganic & medicinal chemistry.

Last ten years (2008-2018) of chiral ligand-exchange chromatography in HPLC: An updated review.

B. Natalini, A. Carotti, R. Sardella, 2018, Journal of separation science.

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

B. Natalini, A. Macchiarulo, A. Carotti, 2012, Journal of chromatography. A.

Synthesis and monoamine oxidase inhibitory activity of new pyridazine-, pyrimidine- and 1,2,4-triazine-containing tricyclic derivatives.

B. Testa, F. Leonetti, M. Catto, 2007, Journal of medicinal chemistry.

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

Angelo Carotti, Francesco Leonetti, Orazio Nicolotti, 2006, Journal of medicinal chemistry.

Integrating experimental and computational techniques to study chromatographic enantioresolutions of chiral tetrahydroindazole derivatives.

A. Gioiello, R. Galarini, G. Saluti, 2020, Journal of chromatography. A.

Novel analgesic/anti-inflammatory agents: 1,5-Diarylpyrrole nitrooxyethyl sulfides and related compounds as Cyclooxygenase-2 inhibitors containing a nitric oxide donor moiety endowed with vasorelaxant properties.

Simone Brogi, C. Ghelardini, C. Bigogno, 2022, European journal of medicinal chemistry.

Scaffold hopping approach on the route to selective tankyrase inhibitors.

S. Aaronson, R. Pellicciari, A. Macchiarulo, 2014, European journal of medicinal chemistry.

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

C. Supuran, A. Gioiello, M. Ceruso, 2014, Bioorganic & medicinal chemistry letters.

Enantioselective HPLC Analysis to Assist the Chemical Exploration of Chiral Imidazolines

A. Macchiarulo, E. Camaioni, A. Gioiello, 2020, Molecules.

Synthesis and Characterization of Chiral Iridium Complexes Bearing Carbohydrate Functionalized Pyridincarboxamide Ligands and Their Application as Catalysts in the Asymmetric Transfer Hydrogenation of α-Ketoacids in Water

A. Macchioni, A. Carotti, R. Sardella, 2023, Organometallics.

Elucidation of retention mechanism of dipeptides on a ristocetin A-based chiral stationary phase using a combination of chromatographic and molecular simulation techniques.

M. V. Stepanova, L. Asnin, A. Carotti, 2022, Journal of chromatography. A.

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.

F. Fülöp, M. Kohout, W. Lindner, 2016, Journal of pharmaceutical and biomedical analysis.

N‐Decyl‐S‐trityl‐(R)‐cysteine, a new chiral selector for “green” ligand‐exchange chromatography applications

B. Natalini, E. Camaioni, A. Carotti, 2017, Journal of pharmaceutical and biomedical analysis.

Recent advances in urea- and thiourea-containing compounds: focus on innovative approaches in medicinal chemistry and organic synthesis.

E. Camaioni, A. Gioiello, A. Carotti, 2021, RSC medicinal chemistry.

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

W. Lindner, B. Natalini, A. Carotti, 2016, Chirality.

Diastereo- and enantioseparation of a N(α)-Boc amino acid with a zwitterionic quinine-based stationary phase: focus on the stereorecognition mechanism.

W. Lindner, B. Natalini, A. Carotti, 2015, Analytica chimica acta.

Enantioseparations by High-Performance Liquid Chromatography Based on Chiral Ligand Exchange.

B. Natalini, A. Carotti, R. Sardella, 2019, Methods in molecular biology.

Enantioseparation of novel anti-inflammatory chiral sulfoxides with two cellulose dichlorophenylcarbamate-based chiral stationary phases and polar-organic mobile phase(s)

M. Anzini, A. Carotti, R. Sardella, 2021, Journal of Chromatography Open.

Improved chromatographic diastereoresolution of cyclopropyl dafachronic acid derivatives using chiral anion exchangers.

W. Lindner, B. Natalini, A. Gioiello, 2018, Journal of chromatography. A.

Fragment-based Design of Zwitterionic, Strong Cation- and Weak Anion-Exchange Type Mixed-mode Liquid Chromatography Ligands and their Chromatographic Exploration.

C. West, T. Ikegami, Martina Ferri, 2020, Journal of chromatography. A.

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

Nina Schlinck, A. Macchiarulo, A. Carotti, 2017, Future medicinal chemistry.

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

R. Pellicciari, A. Macchiarulo, A. Carotti, 2009, Proteins.

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

R. Pellicciari, A. Macchiarulo, A. Carotti, 2009, Biochimica et biophysica acta.

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

A. Lisanti, W. Lindner, B. Natalini, 2014, Journal of chromatography. A.

Multiple Heart-Cutting Two-Dimensional HPLC-UV Achiral–Chiral Analysis of Branched-Chain Amino Acids in Food Supplements under Environmentally Friendly Conditions

R. Galarini, S. Moretti, A. Carotti, 2023, Separations.

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

R. Pellicciari, A. Gioiello, A. Carotti, 2019, MedChemComm.

Computational studies in enantioselective liquid chromatography: Forty years of evolution in docking- and molecular dynamics-based simulations

Emidio Camaioni, Roccaldo Sardella, Andrea Carotti, 2020 .

Design, synthesis, crystallographic studies, and preliminary biological appraisal of new substituted triazolo[4,3-b]pyridazin-8-amine derivatives as tankyrase inhibitors.

S. Aaronson, H. Schüler, R. Pellicciari, 2014, Journal of medicinal chemistry.

Concepts and Molecular Aspects in the Polypharmacology of PARP‐1 Inhibitors

Emidio Camaioni, Andrea Carotti, Antonio Macchiarulo, 2016, ChemMedChem.

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

R. Pellicciari, A. Macchiarulo, A. Gioiello, 2018, European journal of medicinal chemistry.

Optimized one-pot derivatization and enantioseparation of cysteine: Application to the study of a dietary supplement.

S. Rudaz, A. Macchiarulo, R. Galarini, 2019, Journal of pharmaceutical and biomedical analysis.

Expanding the horizon of chemotherapeutic targets: From MDM2 to MDMX (MDM4)

Andrea Carotti, Antonio Macchiarulo, Roberto Pellicciari, 2011 .

Exploring the effect of PARP-1 flexibility in docking studies.

J. Mestres, A. Antolin, R. Pellicciari, 2013, Journal of molecular graphics & modelling.

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

R. Pellicciari, A. Macchiarulo, E. Camaioni, 2014, Biochimica et biophysica acta.

Environmentally Sustainable Achiral and Chiral Chromatographic Analysis of Amino Acids in Food Supplements

A. Taticchi, A. Macchiarulo, A. Carotti, 2022, Molecules.

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

G. Aldini, A. Carotti, R. Sardella, 2020, Journal of separation science.

Efficient enantioresolution of aromatic α-hydroxy acids with Cinchona alkaloid-based zwitterionic stationary phases and volatile polar-ionic eluents.

A. Macchioni, W. Lindner, A. Carotti, 2021, Analytica chimica acta.

Microsampling and enantioselective liquid chromatography coupled to mass spectrometry for chiral bioanalysis of novel psychoactive substances.

M. Bartolini, A. Carotti, R. Sardella, 2023, Talanta.

Critical Assessment of a Structure-Based Screening Campaign for IDO1 Inhibitors: Tips and Pitfalls

U. Grohmann, M. T. Pallotta, A. Mammoli, 2022, International journal of molecular sciences.

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

A. Macchiarulo, A. Carotti, Chiara Custodi, 2016, Molecular informatics.

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

G. Kaatz, W. Lindner, B. Natalini, 2016, Journal of pharmaceutical and biomedical analysis.

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

M. de Candia, A. Carotti, C. Altomare, 2004, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Structural Basis of Human Dimeric α-Amino-β-Carboxymuconate-ε-Semialdehyde Decarboxylase Inhibition With TES-1025

R. Pellicciari, N. Raffaelli, A. Amici, 2022, Frontiers in Molecular Biosciences.

An Integrated Approach to Ligand- and Structure-Based Drug Design: Development and Application to a Series of Serine Protease Inhibitors

Angelo Carotti, Francesco Leonetti, Orazio Nicolotti, 2008, J. Chem. Inf. Model..

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

B. Natalini, M. Anzini, A. Carotti, 2017, Chirality.

Application of the "inverted chirality columns approach" for the monitoring of asymmetric synthesis protocols.

Matteo Tiecco, B. Natalini, R. Galarini, 2019, Talanta.

Turning a Tumor Microenvironment Pitfall into Opportunity: Discovery of Benzamidoxime as PD-L1 Ligand with pH-Dependent Potency

E. Puxeddu, S. Moretti, A. Macchiarulo, 2023, International journal of molecular sciences.

Original enantioseparation of illicit fentanyls with cellulose-based chiral stationary phases under polar-ionic conditions.

A. Carotti, R. Sardella, L. Mercolini, 2021, Journal of chromatography. A.

Laboratory-Scale Semipreparative Enantioresolution of Phenylethanolic-Azole Heme Oxygenase-1 Inhibitors

V. Pittalà, A. Macchiarulo, Sebastiano Intagliata, 2020, Chromatographia.

Chromatograpic resolution of phenylethanolic-azole racemic compounds highlighted stereoselective inhibition of heme oxygenase-1 by (R)-enantiomers.

V. Sorrenti, L. Salerno, A. Rescifina, 2020, Bioorganic chemistry.

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

D. Pietrella, M. Ricci, S. Giovagnoli, 2017, International journal of pharmaceutics.

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

A. Olğaç, O. Werz, U. Garscha, 2016, European journal of medicinal chemistry.

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

A. Olğaç, O. Werz, U. Schubert, 2016, European journal of medicinal chemistry.

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

B. Natalini, R. Galarini, G. Saluti, 2018, Analytica chimica acta.

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

Oliver Werz, Ulrike Garscha, Andrea Carotti, 2020, J. Chem. Inf. Model..

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

U. Grohmann, C. Orabona, A. Macchiarulo, 2019, ChemMedChem.

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

M. Kohout, W. Lindner, A. Macchiarulo, 2018, Journal of separation science.

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

C. Bertucci, B. Natalini, G. Manfroni, 2014, Journal of chromatography. A.

Profiling calcium-dependent interactions between Sorcin and intrinsically disordered regions of human proteome.

A. Ilari, A. Fiorillo, Y. Ivarsson, 2020, Biochimica et biophysica acta. General subjects.

Discovery and characterization of novel potent PARP-1 inhibitors endowed with neuroprotective properties: From TIQ-A to HYDAMTIQ

Gabriele Costantino, Emidio Camaioni, Andrea Carotti, 2011 .

Targeting the Conformational Transitions of MDM2 and MDMX: Insights into Dissimilarities and Similarities of p53 Recognition

Gabriele Cruciani, Andrea Carotti, Antonio Macchiarulo, 2008, J. Chem. Inf. Model..

Binding models of reversible inhibitors to type-B monoamine oxidase

M. Letizia Barreca, Cosimo Altomare, Antonio Carrieri, 2002, J. Comput. Aided Mol. Des..

An Efficient Route to Biologically Active 5H-Indeno(1,2-c)pyridazin-5- ones.

A. Carotti, C. Altomare, F. Campagna, 1993 .

The natural mutation by deletion of Lys9 in the thrombin A‐chain affects the pKa value of catalytic residues, the overall enzyme's stability and conformational transitions linked to Na+ binding

P. Mannucci, F. Peyvandi, R. Palla, 2006, The FEBS journal.

A Natural Prothrombin Mutant Reveals an Unexpected Influence of A-chain Structure on the Activity of Human α-Thrombin*

P. Mannucci, R. De Cristofaro, F. Peyvandi, 2004, Journal of Biological Chemistry.

Synthesis and biological activity of cyclopropyl Δ7-dafachronic acids as DAF-12 receptor ligands.

L. Goracci, R. Pellicciari, A. Gioiello, 2021, Organic & biomolecular chemistry.

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

Roccaldo Sardella, Andrea Carotti, Antonio Macchiarulo, 2018, ACS medicinal chemistry letters.

Chemical exploration of TGR5 functional hot-spots: Synthesis and structure-activity relationships of C7- and C23-Substituted cholic acid derivatives.

R. Pellicciari, A. Gioiello, A. Carotti, 2023, European journal of medicinal chemistry.

Chiral high-performance liquid chromatography analysis of mono-, di-, and triacylglycerols with amylose- and cellulose-phenylcarbamate-based stationary phases.

A. Carotti, R. Sardella, F. Ianni, 2023, Journal of pharmaceutical and biomedical analysis.

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

B. Natalini, R. Pellicciari, A. Carotti, 2013, Bioorganic & medicinal chemistry.

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

R. Pellicciari, A. Gioiello, A. Carotti, 2019, MedChemComm.

Development of an easy-to-set-up multiple heart-cutting achiral-chiral LC-LC method for the analysis of branched-chain amino acids in commercial tablets.

A. Carotti, R. Sardella, F. Ianni, 2024, Electrophoresis.

PHARMACOINFORMATICS IN DRUG R&D PROCESS

A. Olğaç, A. Carotti, 2015 .