G. Costantino

发表

A combined ligand- and structure-based approach for the identification of rilmenidine-derived compounds which synergize the antitumor effects of doxorubicin.

K. Nikolić, J. Vučićević, D. Agbaba, 2016, Bioorganic & medicinal chemistry.

Pharmacophore modeling and virtual screening studies to identify novel selective SIRT2 inhibitors.

R. Cetin-Atalay, G. Costantino, G. Eren, 2019, Journal of molecular graphics & modelling.

PARP Inhibitors As Anticancer Agents

G. Costantino, R. Pellicciari, 2010 .

Molecular Dynamics Simulations of G Protein‐Coupled Receptors

Gabriele Costantino, Agostino Bruno, G. Costantino, 2012, Molecular informatics.

The in silico drug discovery toolbox: applications in lead discovery and optimization.

M. Radi, Luca Sartori, G. Costantino, 2017, Current medicinal chemistry.

Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.

J. Auwerx, K. Schoonjans, G. Costantino, 2007, Journal of Medicinal Chemistry.

Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR

M. Pastor, G. de Fabritiis, J. Selent, 2012, PloS one.

Synthesis, molecular modeling and preliminary biological evaluation of 1-amino-3-phosphono-3-cyclopentene-1-carboxylic acid and 1-amino-3-phosphono-2-cyclopentene-1-carboxylic acid, two novel agonists of metabotropic glutamate receptors of group III.

F. Gasparini, I. Vranesic, P. Flor, 2000, Bioorganic & medicinal chemistry letters.

Design, synthesis and preliminary evaluation of novel 3'-substituted carboxycyclopropylglycines as antagonists at group 2 metabotropic glutamate receptors.

F. Gasparini, S. Urwyler, P. Flor, 2001, Bioorganic & medicinal chemistry letters.

Metabotropic G-protein-coupled glutamate receptors as therapeutic targets.

G. Costantino, R. Pellicciari, 1999, Current opinion in chemical biology.

Anti-Aβ autoantibodies in the CSF of a patient with CAA-related inflammation: A case report

F. Tagliavini, C. Ferrarese, G. Costantino, 2011, Neurology.

Back door modulation of the farnesoid X receptor: design, synthesis, and biological evaluation of a series of side chain modified chenodeoxycholic acid derivatives.

S. Fiorucci, G. Costantino, R. Pellicciari, 2006, Journal of medicinal chemistry.

Life or Death Decisions: The Case of Poly(ADP-Ribose)Polymerase (PARP) as a Therapeutic Target for Brain Ischaemia

G. Costantino, R. Pellicciari, E. Camaioni, 2004 .

Discovery of Multitarget Agents Active as Broad-Spectrum Antivirals and Correctors of Cystic Fibrosis Transmembrane Conductance Regulator for Associated Pulmonary Diseases.

A. Cavalli, M. Radi, E. Crespan, 2017, Journal of medicinal chemistry.

Amine- and Amino Acid-Based Compounds as Carbonic Anhydrase Activators

S. Carradori, C. Supuran, A. Angeli, 2021, Molecules.

Synthesis and biological evaluation of (2S)- and (2R)-2-(3'-phosphonobicyclo[1.1.1]pentyl)glycines as novel group III selective metabotropic glutamate receptor ligands.

G. Costantino, R. Pellicciari, C. Thomsen, 2006, Bioorganic & medicinal chemistry.

α-Diazocarbonyl Chemistry - Target Driven Applications

G. Costantino, B. Natalini, R. Pellicciari, 1998 .

Metabotropic glutamate receptors: structure and new subtype-selective ligands.

G. Costantino, B. Natalini, R. Pellicciari, 2001, Farmaco.

QSAR and molecular modeling studies of baclofen analogues as GABA(B) agonists. Insights into the role of the aromatic moiety in GABA(B) binding and activation.

A Macchiarulo, G. Costantino, R. Pellicciari, 2001, Journal of medicinal chemistry.

(2R,1'S,2'R,3'S)-2-(2'-Carboxy-3'-phenylcyclopropyl)glycine (PCCG-13), the first potent and selective competitive antagonist of phospholipase D-coupled metabotropic glutamate receptors: asymmetric synthesis and preliminary biological properties.

G. Costantino, F. Moroni, B. Natalini, 1999, Journal of medicinal chemistry.

New promises for manipulation of kynurenine pathway in cancer and neurological diseases

G. Costantino, 2009 .

Accepting the Invitation to Open Innovation in Malaria Drug Discovery: Synthesis, Biological Evaluation, and Investigation on the Structure-Activity Relationships of Benzo[b]thiophene-2-carboxamides as Antimalarial Agents.

S. Parapini, M. Zółkiewski, Marco Pieroni, 2017, Journal of medicinal chemistry.

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.

Bile acid derivatives as ligands of the farnesoid X receptor. Synthesis, evaluation, and structure-activity relationship of a series of body and side chain modified analogues of chenodeoxycholic acid.

T. Willson, C. Clerici, S. Fiorucci, 2004, Journal of medicinal chemistry.

Adjuvant therapies against tuberculosis: discovery of a 2-aminothiazole targeting Mycobacterium tuberculosis energetics.

Marco Pieroni, Elisa Azzali, G. Costantino, 2018, Future microbiology.

Rational Design and Synthesis of Thioridazine Analogues as Enhancers of the Antituberculosis Therapy.

Marco Pieroni, Elisa Azzali, G. Costantino, 2015, Journal of medicinal chemistry.

Probing the Reactivity of 2,4-Dichlorofuro[3,4-d]pyrimidin-7-one: A Versatile and Underexploited Scaffold to Generate Substituted or Fused Pyrimidine Derivatives

M. Radi, G. Costantino, Paolo Vincetti, 2019, Synlett.

A microwave-assisted multicomponent protocol for the synthesis of benzofuran-2-carboxamides

M. Radi, G. Costantino, D. Castagnolo, 2016 .

Modulation of glutamate receptor pathways in the search for new neuroprotective agents.

G. Costantino, B. Natalini, R. Pellicciari, 1998, Farmaco.

Investigational Studies on a Hit Compound Cyclopropane-Carboxylic Acid Derivative Targeting O-Acetylserine Sulfhydrylase as a Colistin Adjuvant.

A. Mozzarelli, S. Bettati, Marialaura Marchetti, 2021, ACS infectious diseases.

CYCLOSERINE ENANTIOMERS ARE REVERSIBLE INHIBITORS OF HUMAN ALANINE:GLYOXYLATE AMINOTRANSFERASE: IMPLICATIONS FOR PRIMARY HYPEROXALURIA TYPE 1.

F. Cutruzzolà, A. Faccini, Marco Pieroni, 2019, The Biochemical journal.

Inhibitors of quinolinic acid synthesis: new weapons in the study of neuroinflammatory diseases.

G. Costantino, 2014, Future medicinal chemistry.

On the Way to Selective PARP‐2 Inhibitors. Design, Synthesis, and Preliminary Evaluation of a Series of Isoquinolinone Derivatives

G. Costantino, G. Eren, A. Chiarugi, 2008, ChemMedChem.

Novel Isoquinolinone-Derived Inhibitors of Poly(ADP-ribose) Polymerase-1: Pharmacological Characterization and Neuroprotective Effects in an in Vitro Model of Cerebral Ischemia

G. Costantino, A. Chiarugi, Maura Calvani, 2003, Journal of Pharmacology and Experimental Therapeutics.

Synthesis of atypical bile acids for use as investigative tools for the genetic defect of 3β-hydroxy-Δ5-C27-steroid oxidoreductase deficiency

K. Setchell, G. Costantino, R. Pellicciari, 2014, The Journal of Steroid Biochemistry and Molecular Biology.

The Prognostic Value of Derivatives-Reactive Oxygen Metabolites (d-ROMs) for Cardiovascular Disease Events and Mortality: A Review

T. MacDonald, G. Kennedy, G. Costantino, 2022, Antioxidants.

Molecular dynamics simulations and docking studies on 3D models of the heterodimeric and homodimeric 5-HT(2A) receptor subtype.

G. Costantino, A. Bruno, Claudia Beato, 2011, Future medicinal chemistry.

Discovering a new class of antifungal agents that selectively inhibits microbial carbonic anhydrases

C. Supuran, C. Capasso, A. Angeli, 2018, Journal of enzyme inhibition and medicinal chemistry.

Synthesis and pharmacological characterization of all sixteen stereoisomers of 2-(2'-carboxy-3'-phenylcyclopropyl)glycine. Focus on (2S,1'S,2'S,3'R)-2-(2'-carboxy-3'-phenylcyclopropyl)glycine, a novel and selective group II metabotropic glutamate receptors antagonist.

G. Costantino, F. Moroni, B. Natalini, 1996, Journal of medicinal chemistry.

Exploring the chemical space around N-(5-nitrothiazol-2-yl)-1,2,3-thiadiazole-4-carboxamide, a hit compound with Serine Acetyltransferase (SAT) inhibitory properties

E. Carosati, S. Bettati, Marialaura Marchetti, 2022, Results in Chemistry.

Sodium channel blockers for neuropathic pain

G. Costantino, Mirko Rivara, V. Zuliani, 2010, Expert opinion on therapeutic patents.

Genetic and Pharmacological Dissection of the Role of Spleen Tyrosine Kinase (Syk) in Intestinal Inflammation and Immune Dysfunction in Inflammatory Bowel Diseases.

F. Baldelli, A. Carino, S. Marchianò, 2017, Inflammatory bowel diseases.

Inhibitors of O-Acetylserine Sulfhydrylase with a Cyclopropane-Carboxylic Acid Scaffold Are Effective Colistin Adjuvants in Gram Negative Bacteria

S. Bettati, Marialaura Marchetti, B. Campanini, 2022, Pharmaceuticals.

PARP-1 and its inhibitors: molecular modeling studies

G. Costantino, R. Pellicciari, A. Macchiarulo, 2003 .

Refining the structure−activity relationships of 2-phenylcyclopropane carboxylic acids as inhibitors of O-acetylserine sulfhydrylase isoforms

A. Mozzarelli, A. Jirgensons, S. Bettati, 2018, Journal of Enzyme Inhibition and Medicinal Chemistry.

Synthesis and preliminary pharmacological evaluation of the four stereoisomers of (2S)-2-(2'-phosphono-3'-phenylcyclopropyl)glycine, the first class of 3'-substituted trans C1'-2'-2-(2'-phosphonocyclopropyl)glycines.

F. Gasparini, P. Flor, G. Costantino, 2007, Bioorganic & medicinal chemistry.

Modeling of amino-terminal domains of group I metabotropic glutamate receptors: structural motifs affecting ligand selectivity.

G. Costantino, R. Pellicciari, A. Macchiarulo, 1999, Journal of medicinal chemistry.

Antimicrobial peptides (AMPs): a patent review (2015–2020)

G. Costantino, Giannamaria Annunziato, 2020, Expert opinion on therapeutic patents.

Homology modeling of metabotropic glutamate receptors. (mGluRs) structural motifs affecting binding modes and pharmacological profile of mGluR1 agonists and competitive antagonists.

G. Costantino, R. Pellicciari, 1996, Journal of medicinal chemistry.

2-Aminonicotinic acid 1-oxides are chemically stable inhibitors of quinolinic acid synthesis in the mammalian brain: a step toward new antiexcitotoxic agents.

R. Schwarcz, G. Costantino, L. Amori, 2013, Journal of medicinal chemistry.

Identification of Human Alanine–Glyoxylate Aminotransferase Ligands as Pharmacological Chaperones for Variants Associated with Primary Hyperoxaluria Type 1

Marco Pieroni, G. Costantino, Mirco Dindo, 2022, Journal of medicinal chemistry.

Inhibition of O-acetylserine sulfhydrylase by fluoroalanine derivatives

A. Mozzarelli, A. Jirgensons, B. Campanini, 2018, Journal of enzyme inhibition and medicinal chemistry.

Inhibition of Nonessential Bacterial Targets: Discovery of a Novel Serine O-Acetyltransferase Inhibitor.

A. Mozzarelli, S. Bettati, B. Campanini, 2020, ACS medicinal chemistry letters.

Cyclopropane-1,2-dicarboxylic acids as new tools for the biophysical investigation of O-acetylserine sulfhydrylases by fluorimetric methods and saturation transfer difference (STD) NMR

A. Mozzarelli, S. Bettati, B. Campanini, 2016, Journal of enzyme inhibition and medicinal chemistry.

Synthesis and biological evaluation of 4,5-diphenyloxazolone derivatives on route towards selective COX-2 inhibitors.

E. Banoglu, G. Costantino, A. Entrena, 2009, European journal of medicinal chemistry.

Rational Design, Synthesis, and Preliminary Structure-Activity Relationships of α-Substituted-2-Phenylcyclopropane Carboxylic Acids as Inhibitors of Salmonella typhimurium O-Acetylserine Sulfhydrylase.

A. Mozzarelli, S. Bettati, B. Campanini, 2016, Journal of medicinal chemistry.

New β-arylchalcogeno amines with procognitive properties targeting Carbonic Anhydrases and Monoamine Oxidases.

S. Carradori, C. Supuran, D. Vullo, 2022, European journal of medicinal chemistry.

Modulators of the Kynurenine Pathway of Tryptophan Metabolism: Synthesis and Preliminary Biological Evaluation of (S)‐4‐(Ethylsulfonyl)benzoylalanine, a Potent and Selective Kynurenine Aminotransferase II (KAT II) Inhibitor

R. Schwarcz, P. Guidetti, H. Wu, 2006, ChemMedChem.

Modulation of the kynurenine pathway in search for new neuroprotective agents. Synthesis and preliminary evaluation of (m-nitrobenzoyl)alanine, a potent inhibitor of kynurenine-3-hydroxylase.

G. Costantino, A. Chiarugi, F. Moroni, 1994, Journal of medicinal chemistry.

Design and synthesis of trans-2-substituted-cyclopropane-1-carboxylic acids as the first non-natural small molecule inhibitors of O-acetylserine sulfhydrylase

A. Mozzarelli, B. Campanini, G. Costantino, 2012 .

A one-pot two-step microwave-assisted synthesis of N1-substituted 5,6-ring-fused 2-pyridones

M. Radi, G. Costantino, Alessia Petrelli, 2013 .

Modeling of poly(ADP-ribose)polymerase (PARP) inhibitors. Docking of ligands and quantitative structure-activity relationship analysis.

A Macchiarulo, G. Costantino, R. Pellicciari, 2001, Journal of medicinal chemistry.

A multicomponent pharmacophore fragment-decoration approach to identify selective LRRK2-targeting probes

M. Radi, E. Crespan, G. Maga, 2016 .

Microwave-assisted organic synthesis of nucleoside ProTide analogues

A. Brancale, Elisa Azzali, G. Costantino, 2019, RSC advances.

Spiro[2.2]pentane as a dissymmetric scaffold for conformationally constrained analogues of glutamic acid: focus on racemic 1-aminospiro[2.2]pentyl-1,4-dicarboxylic acids.

F. Gasparini, G. Costantino, R. Pellicciari, 2002, The Journal of organic chemistry.

Synthesis and preliminary biological evaluation of (2S,1'R,2'S)- and (2S,1'S,2'R)-2-(2'-phosphonocyclopropyl)glycines, two novel conformationally constrained l-AP4 analogues.

G. Costantino, R. Pellicciari, C. Thomsen, 2006, Bioorganic & medicinal chemistry letters.

Design, synthesis and investigation on the structure-activity relationships of N-substituted 2-aminothiazole derivatives as antitubercular agents.

S. Franzblau, Marco Pieroni, G. Costantino, 2014, European journal of medicinal chemistry.

Stereoselective synthesis and preliminary evaluation of (+)- and (-)-3-methyl-5-carboxy-thien-2-yl-glycine (3-MATIDA): identification of (+)-3-MATIDA as a novel mGluR1 competitive antagonist.

C. Noe, G. Costantino, F. Moroni, 2004, Farmaco.

Docking studies on PARP-1 inhibitors: insights into the role of a binding pocket water molecule.

G. Costantino, R. Pellicciari, A. Macchiarulo, 2005, Bioorganic & medicinal chemistry.

Irreversible inhibition of epidermal growth factor receptor activity by 3-aminopropanamides.

A. Ardizzoni, M. Mor, G. Costantino, 2012, Journal of medicinal chemistry.

Synthesis, biological evaluation, and docking studies of novel heterocyclic diaryl compounds as selective COX-2 inhibitors.

E. Banoglu, G. Costantino, G. Eren, 2010, Bioorganic & medicinal chemistry.

2-Aminooxazole as a Novel Privileged Scaffold in Antitubercular Medicinal Chemistry.

Marco Pieroni, Elisa Azzali, G. Costantino, 2020, ACS medicinal chemistry letters.

An Introduction to Medicinal Chemistry 4th ed.

Paolo Tortorella, A Macchiarulo, Antonello Mai, 2010 .

Design, synthesis, and microbiological evaluation of new Candida albicans CYP51 inhibitors.

D. Pietrella, G. Costantino, A. Vecchiarelli, 2005, Journal of medicinal chemistry.

Synthesis, preliminary evaluation and molecular modeling studies of new, conformationally constrained analogues of the competitive NMDA receptor antagonist 4-(phosphonomethyl)-2-piperidinecarboxylic acid (CGS 19755).

J. Snyder, J. Monahan, G. Costantino, 1997, Farmaco.

Structure of metal–carbenoid intermediates derived from the dirhodium(II)tetracarboxylate mediated decomposition of α-diazocarbonyl compounds: a DFT study

G. Costantino, R. Pellicciari, A. Macchiarulo, 2002 .

Bulky 1,4-benzoxazine derivatives with antifungal activity.

E. Cenci, G. Costantino, A. Vecchiarelli, 2009, Bioorganic & medicinal chemistry.

1,4-Benzothiazine and 1,4-benzoxazine imidazole derivatives with antifungal activity: a docking study.

G. Costantino, A. Vecchiarelli, A. Macchiarulo, 2002, Bioorganic & medicinal chemistry.

Discovery of novel fragments inhibiting O-acetylserine sulphhydrylase by combining scaffold hopping and ligand–based drug design

M. Welch, A. Mozzarelli, A. Jirgensons, 2018, Journal of enzyme inhibition and medicinal chemistry.

Definition of a pharmacophore for the metabotropic glutamate receptors negatively linked to adenylyl cyclase.

G. Lombardi, G. Costantino, F. Moroni, 1993, Bioorganic & medicinal chemistry.

Metabolite Profiling and Bioactivities of Leaves, Stems, and Flowers of Rumex usambarensis (Dammer) Dammer, a Traditional African Medicinal Plant

L. Righetti, G. Costantino, C. S. Cabassi, 2023, Plants.

Inhibition studies of bacterial α-carbonic anhydrases with phenols

C. Supuran, C. Capasso, G. Costantino, 2022, Journal of enzyme inhibition and medicinal chemistry.

Pharmacophore model for bile acids recognition by the FPR receptor

Gabriele Costantino, Cristina Ferrari, Antonio Macchiarulo, 2006, J. Comput. Aided Mol. Des..

Aspergillus fumigatus tryptophan metabolic route differently affects host immunity

A. Beauvais, J. Latgé, L. Boon, 2021, Cell reports.

A Competitive O-Acetylserine Sulfhydrylase Inhibitor Modulates the Formation of Cysteine Synthase Complex

A. Mozzarelli, S. Cannistraro, L. Ronda, 2021, Catalysts.

Computational Insights into the Mechanism of Inhibition of OASS‐A by a Small Molecule Inhibitor

G. Costantino, A. Bruno, L. Amori, 2013, Molecular informatics.

Rat brain guanosine binding site. Biological studies and pseudo-receptor construction.

U. Traversa, F. Caciagli, G. Costantino, 2003, Bioorganic & medicinal chemistry.

Discovery of Multitarget Antivirals Acting on Both the Dengue Virus NS5-NS3 Interaction and the Host Src/Fyn Kinases.

G. Rastelli, M. Radi, E. Crespan, 2015, Journal of medicinal chemistry.

Is antagonism of E/Z-guggulsterone at the farnesoid X receptor mediated by a noncanonical binding site? A molecular modeling study.

Gabriele Costantino, Antonio Macchiarulo, Roberto Pellicciari, 2005, Journal of medicinal chemistry.

6alpha-ethyl-chenodeoxycholic acid (6-ECDCA), a potent and selective FXR agonist endowed with anticholestatic activity.

T. Willson, C. Clerici, A. Morelli, 2002, Journal of medicinal chemistry.

(S)-(+)-2-(3'-carboxybicyclo[1.1.1]pentyl)-glycine, a structurally new group I metabotropic glutamate receptor antagonist.

M. Raimondo, G. Costantino, B. Natalini, 1996, Journal of medicinal chemistry.

1-Aminoindan-1,5-dicarboxylic acid: a novel antagonist at phospholipase C-linked metabotropic glutamate receptors.

G. Lombardi, G. Costantino, F. Moroni, 1995, Journal of medicinal chemistry.

Metabotropic glutamate receptors: targets for therapy of cerebral ischaemia

G. Costantino, R. Pellicciari, A. Macchiarulo, 2001, Expert opinion on therapeutic targets.

Development of Praziquantel sulphonamide derivatives as antischistosomal drugs

J. Keiser, C. Supuran, M. Ferraroni, 2022, Journal of enzyme inhibition and medicinal chemistry.

Target flexibility: an emerging consideration in drug discovery and design.

Holger Gohlke, Garrett M Morris, Francesca Fanelli, 2008, Journal of medicinal chemistry.

Discovery of New Potential Anti‐Infective Compounds Based on Carbonic Anhydrase Inhibitors by Rational Target‐Focused Repurposing Approaches

C. Supuran, D. Vullo, C. Capasso, 2016, ChemMedChem.

New promises for manipulation of kynurenine pathway in cancer and neurological diseases.

G. Costantino, 2009, Expert opinion on therapeutic targets.

Addressing the Conformational Flexibility of Serine Racemase by Combining Targeted Molecular Dynamics, Conformational Sampling and Docking Studies

G. Costantino, A. Bruno, L. Amori, 2011, Molecular informatics.

The role of electrostatic interaction in the molecular recognition of selective agonists to metabotropic glutamate receptors

G. Costantino, R. Pellicciari, A. Macchiarulo, 2003, Proteins.

Metabotropic glutamate receptors: a structural view point.

G. Costantino, R. Pellicciari, A. Macchiarulo, 2000, Pharmaceutica acta Helvetiae.

The Aryl Hydrocarbon Receptor (AhR) Mediates the Counter-Regulatory Effects of Pelargonidins in Models of Inflammation and Metabolic Dysfunctions

S. Marchianò, Michele Biagioli, E. Distrutti, 2019, Nutrients.

Molecular Dynamics Simulation of the Heterodimeric mGluR2/5HT2A Complex. An Atomistic Resolution Study of a Potential New Target in Psychiatric Conditions

Gabriele Costantino, Agostino Bruno, Antonio Entrena Guadix, 2009, J. Chem. Inf. Model..

Identification of Breast Cancer Inhibitors Specific for G Protein‐Coupled Estrogen Receptor (GPER)‐Expressing Cells

M. Radi, A. Nigro, F. Giordano, 2017, ChemMedChem.

State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions.

Stefano Alcaro, Federica Moraca, Anna Artese, 2013, Future medicinal chemistry.

Modulation of bacterial metabolism by the microenvironment controls MAIT cell stimulation

U. Sauer, N. Pavelka, P. Hruz, 2018, Mucosal Immunology.

Insights into Phenylalanine Derivatives Recognition of VLA-4 Integrin: From a Pharmacophoric Study to 3D-QSAR and Molecular Docking Analyses

Gerhard F. Ecker, Gabriele Costantino, Antonio Macchiarulo, 2004, J. Chem. Inf. Model..

Substituted N-Phenyl-5-(2-(phenylamino)thiazol-4-yl)isoxazole-3-carboxamides Are Valuable Antitubercular Candidates that Evade Innate Efflux Machinery.

G. Lamichhane, A. Kaushik, Marco Pieroni, 2017, Journal of medicinal chemistry.

Synthesis and biological evaluation of 2-(3'-(1H-tetrazol-5-yl) bicyclo[1.1.1]pent-1-yl)glycine (S-TBPG), a novel mGlu1 receptor antagonist.

L. Prézeau, J. Pin, G. Costantino, 2001, Bioorganic & medicinal chemistry.

Homology Modeling, Validation and Dynamics of the G Protein‐coupled Estrogen Receptor 1 (GPER‐1)

M. Radi, G. Costantino, A. Bruno, 2016, Molecular informatics.

Discovery of a AHR pelargonidin agonist that counter-regulates Ace2 expression and attenuates ACE2-SARS-CoV-2 interaction

D. Francisci, S. Marchianò, Michele Biagioli, 2021, Biochemical Pharmacology.

Discovery of a AhR flavonoid agonist that counter-regulates ACE2 expression in rodent models of inflammation and attenuates ACE2-SARS-CoV2 interaction in vitro

D. Francisci, S. Marchianò, Michele Biagioli, 2021, bioRxiv.

Unveiling hidden features of orphan nuclear receptors: the case of the small heterodimer partner (SHP).

S. Fiorucci, G. Costantino, R. Pellicciari, 2006, Journal of molecular graphics & modelling.

Synthesis and preliminary evaluation of (S)-2-(4'-carboxycubyl)glycine, a new selective mGluR1 antagonist.

J. Pin, I. Brabet, G. Costantino, 1998, Bioorganic & medicinal chemistry letters.

Further insights into the SAR of α-substituted cyclopropylamine derivatives as inhibitors of histone demethylase KDM1A.

C. Mercurio, M. Villa, M. Varasi, 2015, European journal of medicinal chemistry.

Farnesoid X receptor: from structure to potential clinical applications.

Gabriele Costantino, Roberto Pellicciari, S. Fiorucci, 2005, Journal of medicinal chemistry.

KYNURENINE-3-HYDROXYLASE AND ITS SELECTIVE INHIBITORS

G. Costantino, F. Moroni, B. Natalini, 1996 .

Unbinding Pathways of VEGFR2 Inhibitors Revealed by Steered Molecular Dynamics

Gabriele Costantino, Anna Maria Capelli, A. Capelli, 2014, J. Chem. Inf. Model..

Binding mode of 6ECDCA, a potent bile acid agonist of the farnesoid X receptor (FXR).

G. Costantino, R. Pellicciari, A. Macchiarulo, 2003, Bioorganic & medicinal chemistry letters.

Use of Experimental Design To Optimize Docking Performance: The Case of LiGenDock, the Docking Module of Ligen, a New De Novo Design Program

Carlo Cavazzoni, Andrea Beccari, Gabriele Costantino, 2013, J. Chem. Inf. Model..

Poly(ADP‐Ribose)‐Polymerase‐Catalyzed Hydrolysis of NAD+: QM/MM Simulation of the Enzyme Reaction

G. Costantino, A. Marrone, R. Pellicciari, 2006, ChemMedChem.

Selenocarbamates As a Prodrug‐Based Approach to Carbonic Anhydrase Inhibition

C. Supuran, M. Ferraroni, A. Angeli, 2022, ChemMedChem.

Targeting the minor pocket of C5aR for the rational design of an oral allosteric inhibitor for inflammatory and neuropathic pain relief

M. Teixeira, E. Galliera, F. Cunha, 2014, Proceedings of the National Academy of Sciences.

Correction: Membrane-Sensitive Conformational States of Helix 8 in the Metabotropic Glu2 Receptor, a Class C GPCR

M. Pastor, G. de Fabritiis, J. Selent, 2012, PLoS ONE.

Towards new neuroprotective agents: design and synthesis of 4H-thieno[2,3-c] isoquinolin-5-one derivatives as potent PARP-1 inhibitors.

G. Costantino, F. Moroni, B. Natalini, 2003, Farmaco.

Molecular Modeling of the mGluR1 Metabotropic Glutamate Receptor Transmembrane Domain and Construction of the Model of Its Dimer

N. Zefirov, G. Costantino, R. Pellicciari, 2003, Doklady Biochemistry and Biophysics.

Molecular Dynamic Simulation of the Ligand–Receptor Complexes of the Aminoterminal Domain of the Metabotropic Glutamate Receptor mGluR1

N. Zefirov, G. Costantino, R. Pellicciari, 2003, Doklady Biochemistry and Biophysics.

Binding modes of noncompetitive AMPA antagonists: a computational approach.

G. Costantino, R. Gitto, L. De Luca, 2003, Farmaco.

Molecular dynamics simulation of the ligand binding domain of mGluR1 in response to agonist and antagonist binding

Gabriele Costantino, Antonio Macchiarulo, Roberto Pellicciari, 2002, J. Comput. Aided Mol. Des..

QSAR study of anticonvulsant negative allosteric modulators of the AMPA receptor.

Alba Chimirri, Gabriele Costantino, Antonio Macchiarulo, 2004, Journal of medicinal chemistry.

Expanding the knowledge around antitubercular 5-(2-aminothiazol-4-yl)isoxazole-3-carboxamides: Hit-to-lead optimization and release of a novel antitubercular chemotype via scaffold derivatization.

T. Dick, Marco Pieroni, G. Costantino, 2022, European journal of medicinal chemistry.

Alpha-synuclein/synapsin III pathological interplay boosts the motor response to methylphenidate

F. Benfenati, M. Spillantini, C. Missale, 2020, Neurobiology of Disease.

LiGen: A High Performance Workflow for Chemistry Driven de Novo Design

Carlo Cavazzoni, Andrea Beccari, Gabriele Costantino, 2013, J. Chem. Inf. Model..

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 .

Synthesis and preliminary biological evaluation at the glycineB site of (+)- and (-)-3-oxetanylglycine, novel non-proteinogenic amino acids.

G. Costantino, R. Pellicciari, M. Marinozzi, 2001, Farmaco.

Pharmacophore models of group I and group II metabotropic glutamate receptor agonists. Analysis of conformational, steric, and topological parameters affecting potency and selectivity.

G. Costantino, R. Pellicciari, A. Macchiarulo, 1999, Journal of medicinal chemistry.

Discovery of Substituted (2-Aminooxazol-4-yl)Isoxazole-3-carboxylic Acids as Inhibitors of Bacterial Serine Acetyltransferase in the Quest for Novel Potential Antibacterial Adjuvants

A. Mozzarelli, S. Bettati, B. Campanini, 2021, Pharmaceuticals.

Integration of Enhanced Sampling Methods with Saturation Transfer Difference Experiments to Identify Protein Druggable Pockets

Marco Pieroni, Gabriele Costantino, Agostino Bruno, 2018, J. Chem. Inf. Model..

Inhibitors of the sulfur assimilation pathway in bacterial pathogens as enhancers of antibiotic therapy.

A. Mozzarelli, S. Bettati, B. Campanini, 2014, Current medicinal chemistry.

Loss of thalamic serotonin transporters in early drug-naïve Parkinson’s disease patients is associated with tremor: an [123I]β-CIT SPECT study

A. Antonini, J. Booij, E. Wolters, 2008, Journal of Neural Transmission.

Modulation of the kynurine pathway of tryptophan metabolism in search for neuroprotective agents. Focus on kynurenine-3-hydroxylase.

P. Pevarello, M. Varasi, C. Speciale, 2003, Advances in experimental medicine and biology.

Potential therapeutic applications of farnesoid X receptor (FXR) modulators

G. Costantino, R. Pellicciari, A. Gioiello, 2006 .

Molecular dynamics simulation of the ligand binding domain of farnesoid X receptor. Insights into helix-12 stability and coactivator peptide stabilization in response to agonist binding.

G. Costantino, R. Pellicciari, A. Macchiarulo, 2005, Journal of medicinal chemistry.

Molecular docking studies and virtual drug screening of chemosensitizers

G. Costantino, A. Bruno, 2021 .

Homology model of the closed, functionally active, form of the amino terminal domain of mGlur1.

G. Costantino, R. Pellicciari, A. Macchiarulo, 2001, Bioorganic & medicinal chemistry.

Conformational analysis of carboxyphenylglycine (CPG) derivatives: insight into bioactive and bioselective conformations of group-I mGluRs antagonists.

G. Costantino, A. Macchiarulo, A. Entrena Guadix, 2001, Farmaco.

Scaffold Morphing Approach To Expand the Toolbox of Broad-Spectrum Antivirals Blocking Dengue/Zika Replication.

M. Radi, J. Neyts, G. Costantino, 2019, ACS medicinal chemistry letters.

Identification of Broad‐Spectrum Dengue/Zika Virus Replication Inhibitors by Functionalization of Quinoline and 2,6‐Diaminopurine Scaffolds

M. Radi, E. Crespan, G. Maga, 2018, ChemMedChem.

Evaluation of hydrophobic/hydrophilic balance of bile acids by comparative molecular field analysis (CoMFA)

G. Costantino, B. Natalini, R. Pellicciari, 2000, Steroids.

Homology model of the multidrug transporter LmrA from Lactococcus lactis.

G. Ecker, P. Chiba, G. Costantino, 2004, Bioorganic & medicinal chemistry letters.

Rational Design and Synthesis of Thioridazine Analogues as Enhancers of the Antituberculosis Therapy.

Marco Pieroni, Elisa Azzali, G. Costantino, 2015, Journal of medicinal chemistry.

Irreversible inhibition of epidermal growth factor receptor activity by 3-aminopropanamides.

A. Ardizzoni, M. Mor, G. Costantino, 2012, Journal of medicinal chemistry.

Farnesoid X receptor: from structure to potential clinical applications.

S. Fiorucci, G. Costantino, R. Pellicciari, 2005, Journal of medicinal chemistry.

Modulation of bacterial metabolism by the microenvironment controls MAIT cell stimulation

U. Sauer, P. Hruz, G. De Libero, 2018, Mucosal Immunology.

In vitro Digestion of Zingiber officinale Extract and Evaluation of Stability as a First Step to Determine its Bioaccesibility

A. Faccini, C. Falavigna, Marco Pieroni, 2018, Natural Product Communications.

Computationally driven drug discovery meeting-3 – Verona (Italy): 4 – 6th of March 2014

Gabriele Costantino, G. Costantino, 2014, Expert opinion on drug discovery.

Cyclopropane derivatives as potential human serine racemase inhibitors: unveiling novel insights into a difficult target

A. Mozzarelli, Marialaura Marchetti, B. Campanini, 2016, Journal of enzyme inhibition and medicinal chemistry.

Addressing the Conformational Flexibility of Serine Racemase by Combining Targeted Molecular Dynamics, Conformational Sampling and Docking Studies

G. Costantino, A. Bruno, L. Amori, 2011, Molecular informatics.

Unbinding pathways from the glucocorticoid receptor shed light on the reduced sensitivity of glucocorticoid ligands to a naturally occurring, clinically relevant mutant receptor.

A. Capelli, G. Costantino, A. Bruno, 2013, Journal of medicinal chemistry.