Autiero I, Roviello GN
Interaction of Laurusides 1 and 2 with the 3C-like Protease (M(pro)) from Wild-Type and Omicron Variant of SARS-CoV-2: A Molecular Dynamics Study
Int J Mol Sci (ISSN: 1422-0067linking), 2023 Mar 14; 24 (6 ): N/D-N/D.

Langella E, Esposito D, Monti SM, Supuran CT, De Simone G, Alterio V
A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors
Biology (ISSN: 2079-7737linking), 2023 Feb 10; 12 (2 ): N/D-N/D.

Greco F, Falanga AP, Terracciano M, D , #xambrosio C, Piccialli G, Oliviero G, Roviello GN, Borbone N
CD, UV, and In Silico Insights on the Effect of 1, 3-Bis(1'-uracilyl)-2-propanone on Serum Albumin Structure
Biomolecules (ISSN: 2218-273xlinking), 2022 Aug 3; 12(8): 1071-1088.

Greco F, Musumeci D, Borbone N, Falanga AP, D , #xerrico S, Terracciano M, Piccialli I, Roviello GN, Oliviero G
Exploring the Parallel G-Quadruplex Nucleic Acid World: A Spectroscopic and Computational Investigation on the Binding of the c-myc Oncogene NHE III1 Region by the Phytochemical Polydatin
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2022 May 7; 27(9): 2997-3006.

Di Fiore A, Supuran CT, Scaloni A, De Simone G
Post-translational modifications in tumor-associated carbonic anhydrases
Amino Acids (ISSN: 0939-4451linking, 1438-2199electronic), 2022 Apr; 54(4): 543-558.

Scognamiglio PL, Vicidomini C, Fontanella F, De Stefano C, Palumbo R, Roviello GN
Protein Binding of Benzofuran Derivatives: A CD Spectroscopic and In Silico Comparative Study of the Effects of 4-Nitrophenyl Functionalized Benzofurans and Benzodifurans on BSA Protein Structure
Biomolecules (ISSN: 2218-273xlinking), 2022 Feb; 12(2): 262-273.

Roviello V, Scognamiglio PL, Caruso U, Vicidomini C, Roviello GN
Evaluating In Silico the Potential Health and Environmental Benefits of Houseplant Volatile Organic Compounds for an Emerging 'Indoor Forest Bathing' Approach
Int J Environ Res Public Health (ISSN: 1660-4601linking), 2022 Jan 16; 19(1): 273-273.

Platella C, Gaglione R, Napolitano E, Arciello A, Pirota V, Doria F, Musumeci D, Montesarchio D
DNA Binding Mode Analysis of a Core-Extended Naphthalene Diimide as a Conformation-Sensitive Fluorescent Probe of G-Quadruplex Structures
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic), 2021 Sep 30; 22 (19 ): N/D-N/D.

Russo L, Mascanzoni F, Farina B, Dolga AM, Monti A, Caporale A, Culmsee C, Fattorusso R, Ruvo M, Doti N
Design, Optimization, and Structural Characterization of an Apoptosis-Inducing Factor Peptide Targeting Human Cyclophilin A to Inhibit Apoptosis Inducing Factor-Mediated Cell Death
J Med Chem (ISSN: 0022-2623linking, 0022-2623print), 2021 Aug 12; 64 (15 ): 11445-11459.

Perrella F, Coppola F, Petrone A, Platella C, Montesarchio D, Stringaro A, Ravagnan G, Fuggetta MP, Rega N, Musumeci D
Interference of Polydatin/Resveratrol in the ACE2: Spike Recognition during COVID-19 Infection. A Focus on Their Potential Mechanism of Action through Computational and Biochemical Assays
Biomolecules (ISSN: 2218-273xlinking), 2021 Jul 16; 11(7): N/D-N/D.

Roviello V, Musumeci D, Mokhir A, Roviello GN
Evidence of Protein Binding by a Nucleopeptide Based on a Thyminedecorated L-Diaminopropanoic Acid through CD and In Silico Studies
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2021 Jul; 28(24): 5004-5015.

Moreira M, Ruggiero A, Iaccarino E, Barra G, Sandomenico A, Ruvo M, Berisio R
A structure-based approach for the development of a bicyclic peptide acting as a miniaturized anti-CD55 antibody
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2021 May 17; 182: 1455-1462.

Marasco D, Vicidomini C, Krupa P, Cioffi F, Pham DQH, Li MS, Florio D, Broersen K, De Pandis MF, Roviello GN
Plant isoquinoline alkaloids as potential neurodrugs: A comparative study of the effects of benzo[c]phenanthridine and berberine based compounds on β-amyloid aggregation
Chem Biol Interact (ISSN: 0009-2797linking), 2021 Jan 25; 334: 109300-109301.

Vincenzi M, Leone M
The fight against human viruses: how NMR can help
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2021; 28(22): 4380-4453.

Montanari R, Capelli D, Yamamoto K, Awaishima H, Nishikata K, Barendregt A, Heck AJR, Loiodice F, Altieri F, Paiardini A, Grottesi A, Pirone L, Pedone E, Peiretti F, Brunel JM, Itoh T, Pochetti G
Insights into PPARγ Phosphorylation and Its Inhibition Mechanism
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804), 2020 May 14; 63(9): 4811-4823.

Pelliccia S, Amato J, Capasso D, Di Gaetano S, Massarotti A, Piccolo M, Irace C, Tron GC, Pagano B, Randazzo A, Novellino E, Giustiniano M
Bio-Inspired Dual-Selective BCL-2/c-MYC G-Quadruplex Binders: Design, Synthesis, and Anticancer Activity of Drug-like Imidazo[2, 1-i]purine Derivatives
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804), 2020 Mar 12; 63(5): 2035-2050.

Langella E, Alterio V, D'Ambrosio K, Cadoni R, Winum JY, Supuran CT, Monti SM, De Simone G, Di Fiore A
Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity
J Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 2019 Dec; 34(1): 1498-1505.

Mercurio FA, Di Natale C, Pirone L, Marasco D, Calce E, Vincenzi M, Pedone EM, De Luca S, Leone M
Design and analysis of EphA2-SAM peptide ligands: A multi-disciplinary screening approach
Bioorg Chem (ISSN: 0045-2068linking, 1090-2120electronic), 2019 Mar; 84: 434-443.

Buemi MR, Di Fiore A, De Luca L, Angeli A, Mancuso F, Ferro S, Monti SM, Buonanno M, Russo E, De Sarro G, De Simone G, Supuran CT, Gitto R
Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety
Eur J Med Chem (ISSN: 1768-3254electronic, 0223-5234linking), 2019 Feb 1; 163: 443-452.

Bolzati C, Salvarese N, Carpanese D, Seraglia R, Melendez-alafort L, Rosato A, Capasso D, Saviano M, Del Gatto A, Comegna D, Zaccaro L
[(99m)Tc][Tc(N)PNP43]-Labeled RGD Peptides As New Probes for a Selective Detection of alphavbeta3 Integrin: Synthesis, Structure-Activity and Pharmacokinetic Studies
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804electronic), 2018 Nov 8; 61(21): 9596-9610.

Sacco M, Lancellotti S, Berruti F, Arcovito A, Bellelli A, Ricciardelli T, Autiero I, Cavallo L, Oliva R, De Cristofaro R
Apixaban Interacts with Haemoglobin: Effects on Its Plasma Levels
Thromb Haemost (ISSN: 0340-6245linking), 2018 Oct; 118 (10 ): 1701-1712.

Sbardella D, Tundo GR, Coletta A, Marcoux J, Koufogeorgou EI, Ciaccio C, Santoro AM, Milardi D, Grasso G, Cozza P, Bousquet-dubouch MP, Marini S, Coletta M
The insulin-degrading enzyme is an allosteric modulator of the 20S proteasome and a potential competitor of the 19S
Cell Mol Life Sci (ISSN: 1420-9071electronic, 1420-682xlinking), 2018 Sep; 75(18): 3441-3456.

Mishra CB, Kumari S, Angeli A, Bua S, Buonanno M, Monti SM, Tiwari M, Supuran CT
Discovery of potent anti-convulsant carbonic anhydrase inhibitors: Design, synthesis, in vitro and in vivo appraisal
Eur J Med Chem (ISSN: 0223-5234linking, 1768-3254electronic), 2018 Aug 5; 156: 430-443.

Comegna D, Zannetti A, Del Gatto A, De Paola I, Russo L, Di Gaetano S, Liguoro A, Capasso D, Saviano M, Zaccaro L
Chemical Modification for Proteolytic Stabilization of the Selective alphavbeta3 Integrin RGDechi Peptide: in Vitro and in Vivo Activities on Malignant Melanoma Cells
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 Dec 14; 60(23): 9874-9884.

Squeglia F, Romano M, Ruggiero A, Berisio R
Molecular players in Tuberculosis drug development: another break in the cell wall
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2017 Nov 24; 24(36): 3954-3969.

Brunò E, Buemi MR, Di Fiore A, De LucaL, Ferro S, Angeli A, Cirilli R, Sadutto D, Alterio V, Monti SM, Supuran CT, De Simone G, Gitto R
Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 May 25; 60(10): 4316-4326.

Mishra CB, Kumari S, Angeli A, Monti SM, Buonanno M, Tiwari M, Supuran CT
Discovery of Benzenesulfonamides with Potent Human Carbonic Anhydrase Inhibitory and Effective Anticonvulsant Action: Design, Synthesis, and Pharmacological Assessment
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 Mar 23; 60(6): 2456-2469.

Mercurio FA, Marasco D, Di Natale C, Pirone L, Costantini S, Pedone EM, Leone M
Targeting EphA2-Sam and Its Interactome: Design and Evaluation of Helical Peptides Enriched in Charged Residues
Chembiochem (ISSN: 1439-4227, 1439-7633, 1439-4227linking), 2016 Nov 17; 17(22): 2179-2188.

Calvanese L, D'Auria G, Vangone A, Falcigno L, Oliva R
Analysis of the interface variability in NMR structure ensembles of protein-protein complexes
J Struct Biol (ISSN: 1047-8477, 1047-8477linking), 2016 Jun; 194(3): 317-324.

Langella E, D'Ambrosio K, D'Ascenzio M, Carradori S, Monti SM, Supuran CT, De Simone G
A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 4; 22(1): 97-100.

Karlsson J, Morgillo CM, Deplano A, Smaldone G, Pedone E, Luque FJ, Svensson M, Novellino E, Congiu C, Onnis V, Catalanotti B, Fowler CJ
Interaction of the N-(3-Methylpyridin-2-yl)amide Derivatives of Flurbiprofen and Ibuprofen with FAAH: Enantiomeric Selectivity and Binding Mode
Plosone (ISSN: 1932-6203linking, 1932-6203electronic), 2015 Nov 13; 10 (11 ): e0142711-N/D.

Longo DL, Arena F, Consolino L, Minazzi P, Geninatti-crich S, Giovenzana GB, Aime S
Gd-AAZTA-MADEC, an improved blood pool agent for DCE-MRI studies on mice on 1 T scanners
Biomaterials (ISSN: 0142-9612, 1878-5905electronic, 0142-9612linking), 2015 Oct 16; 75: 47-57.

Moroni E, Paladino A, Colombo G
The Dynamics of Drug Discovery
Curr Top Med Chem (ISSN: 1568-0266linking), 2015 May 18; 15 (20 ): 2043-2055.

Alterio V, Tanc M, Ivanova J, Zalubovskis R, Vozny I, Monti SM, Di Fiore A, De Simone G, Supuran CT
X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2015 Apr 7; 13(13): 4064-4069.

De Simone G, Di Fiore A, Capasso C, Supuran CT
The zinc coordination pattern in the eta-carbonic anhydrase from Plasmodium falciparum is different from all other carbonic anhydrase genetic families
Bioorg Med Chem Lett (ISSN: 0960-894x), 2015 Apr 1; 25(7): 1385-1389.

Galdiero S, Falanga A, Berisio R, Grieco P, Morelli G, Galdiero M
Antimicrobial peptides as an opportunity against bacterial diseases
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2015 Mar 11; 22(14): 1665-1677.

Monti SM, Supuran CT,  De Simone G
DPP-4 inhibitors: a patent review (2012 - 2014)
Expert Opin Ther Pat (ISSN: 1354-3776, 1744-7674electronic), 2015 Feb; 25(2): 209-236.

Supuran CT, Capasso C, De Simone G
Carbonic Anhydrase II as Target for Drug Design
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 51-90.

D'Ambrosio K, Carradori S, Monti SM, Buonanno M, Secci D, Vullo D, Supuran CT, De Simone G
Out of the active site binding pocket for carbonic anhydrase inhibitors
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jan 7; 51(2): 302-305.

Galdiero S, Falanga A, Morelli G, Galdiero M
gH625: A milestone in understanding the many roles of membranotropic peptides
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2015 Jan; 1848(PA): 16-25.

Milardi D, Pappalardo M
Molecular dynamics: New advances in drug discovery
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.

Iqbal J, Al-rashida M, Durdagi S, Alterio V, Di Fiore A
Recent developments of carbonic anhydrase inhibitors as potential drugs
Biomed Res Int (ISSN: 2314-6133, 2314-6141), 2015; 2015: 174178-174178.

Scognamiglio PL, Morelli G, Marasco D
Synthetic and structural routes for the rational conversion of peptides into small molecules
Methods Mol Biol (ISSN: 1064-3745, 1940-6029electronic, 1064-3745linking), 2015; 1268: 159-193.

Cantisani M, Finamore E, Mignogna E, Falanga A, Nicoletti GF, Pedone C, Morelli G, Leone M, Galdiero M, Galdiero S
Structural insights into and activity analysis of the antimicrobial peptide myxinidin
Antimicrob Agents Ch (ISSN: 0066-4804, 1098-6596), 2014 Sep; 58(9): 5280-5290.

Carotenuto A, Auriemma L, Merlino F, Yousif AM, Marasco D, Limatola A, Campiglia P, Gomez-Monterrey I, Santicioli P, Meini S, Maggi CA, Novellino E, Grieco P
Lead Optimization of P5U and Urantide: Discovery of Novel Potent Ligands at the Urotensin-II Receptor
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2014 Jul 24; 57(14): 5965-5974.

Musumeci D, Roviello GN, Montesarchio D
An overview on HMGB1 inhibitors as potential therapeutic agents in HMGB1-related pathologies
Pharmacol Ther (ISSN: 0163-7258, 0163-7258linking), 2014 Mar; 141(3): 347-357.

D'Ambrosio K, Lopez M, Dathan NA, Ouahrani-bettache S, Köhler S, Ascione G, Monti SM, Winum JY, De Simone G
Structural basis for the rational design of new anti-Brucella agents: The crystal structure of the C366S mutant of l-histidinol dehydrogenase from Brucella suis
Biochimie (ISSN: 0300-9084, 1638-6183, 0300-9084linking), 2014 Feb; 97(1): 114-120.

De Rosa L, Diana D, Basile A, Russomanno A, Isernia C, Turco MC, Fattorusso R, D'Andrea LD
Design, Structural And Biological Characterization Of A Vegf Inhibitor Beta-Hairpin-Constrained Peptide
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2014; 73: 210-216.

Alterio V, Pan P, Parkkila S, Buonanno M, Supuran CT, Monti SM, De Simone G
The Structural Comparison Between Membrane-Associated Human Carbonic Anhydrases Provides Insights Into Drug Design Of Selective Inhibitors
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014; 101(7): 769-778.

Alterio V, Monti SM, De Simone G
Thermal-stable carbonic anhydrases: a structural overview
Subcell Biochem (ISSN: 0306-0225), 2014; 75: 387-404.

Portella L, Vitale R, De Luca S, D'Alterio C, Ieranò C, Napolitano M, Riccio A, Polimeno MN, Monfregola L, Barbieri A, Luciano A, Ciarmiello A, Arra C, Castello G, Amodeo P, Scala S
Preclinical Development of a Novel Class of CXCR4 Antagonist Impairing Solid Tumors Growth and Metastases
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2013 Sep 13; 8(9): N/D-N/D.

Autiero I, Saviano M, Langella E
In silico investigation and targeting of amyloid beta oligomers of different size
Mol Biosyst (ISSN: 1742-206x, 1742-2051electronic, 1742-2051linking), 2013 Aug; 9(8): 2118-2124.

De Simone G, Alterio V, Supuran CT
Exploiting the hydrophobic and hydrophilic binding sites for designing carbonic anhydrase inhibitors
Expert Opin Drug Discov (ISSN: 1746-0441), 2013 Jul; 8(7): 793-810.

Monti SM, Supuran CT, De Simone G
Anticancer carbonic anhydrase inhibitors: A patent review (2008-2013)
Expert Opin Ther Pat (ISSN: 1354-3776, 1744-7674electronic), 2013 Jun; 23(6): 737-749.

Avitabile C, Netti F, Orefice G, Palmieri M, Nocerino N, Malgieri G, D'Andrea LD, Capparelli R, Fattorusso R, Romanelli A
Design, structural and functional characterization of a Temporin-1b analog active against Gram-negative bacteria
Bba-Gen Subjects (ISSN: 0304-4165, 0006-3002, 0925-4439), 2013 Jun; 1830(6): 3767-3775.

Spagnuolo MS, Di Stasi R, De Rosa L, Maresca B, Cigliano L, D'Andrea LD
Analysis of the haptoglobin binding region on the apolipoprotein A-I-derived P2a peptide
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2013 Apr; 19(4): 220-226.

Mercurio FA, Marasco D, Pirone L, Scognamiglio PL, Pedone E, Pellecchia M, Leone M
Heterotypic Sam-Sam Association Between Odin-Sam1 And Arap3-Sam: Binding Affinity And Structural Insights
Chembiochem (ISSN: 1439-4227, 1439-9422, 1439-7633), 2013 Jan 2; 14(1): 100-106.

Carotenuto A, Cipolletta E, Gomez-Monterrey I, Sala M, Vernieri E, Limatola A, Bertamino A, Musella S, Sorriento D, Grieco P, Trimarco B, Novellino E, Iaccarino G, Campiglia P
Design, synthesis and efficacy of novel G protein-coupled receptor kinase 2 inhibitors
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 1768-3254electronic), 2013; 69: 384-392.

Bellia F, Pietropaolo A,  Grasso G
Formation of insulin fragments by insulin-degrading enzyme: The role of zinc(II) and cystine bridges
J Mass Spectrom (ISSN: 1076-5174, 1096-9888), 2013; 48(2): 135-140.

Messori L, Scaletti F, Massai L, Cinellu MA, Gabbiani C, Vergara A, Merlino A
The mode of action of anticancer gold-based drugs: a structural perspective
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2013; 49(86): 10100-10102.

Grasso G, Salomone F, Tundo GR, Pappalardo G, Ciaccio C, Spoto G, Pietropaolo A, Coletta M, Rizzarelli E
Metal ions affect insulin-degrading enzyme activity
J Chem Res (ISSN: 1873-3344, 0162-0134, 0162-0134print), 2012 Dec; 117: 351-358.

Berisio R
Editorial: cell processes in bacterial diseases
Protein Pept Lett (ISSN: 0929-8665, 1875-5305), 2012 Oct; 19(10): 1011-1012.

Alterio V, Di Fiore A, D'Ambrosio K, Supuran CT, De Simone G
Multiple binding modes of inhibitors to carbonic anhydrases: How to design specific drugs targeting 15 different isoforms?
Chem Rev (ISSN: 0009-2665), 2012 Sep; 112(8): 4421-4468.

Sciacca MF, Chillemi R, Sciuto S, Pappalardo M, La Rosa C, Grasso D, Milardi D
Interactions of two O-phosphorylresveratrol derivatives with model membranes
Arch Biochem Biophys (ISSN: 1096-0384, 0003-3986), 2012 May; 521(1-2): 111-116.

Monti SM, Supuran CT, De Simone G
Carbonic anhydrase IX as a target for designing novel anticancer drugs
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2012 Feb; 19(6): 821-830.

De Simone G
Editorial: Zinc Metallo-Enzymes As Target For Drug Design
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2012 Feb; 19(6): 820-1012.

Palmieri G, Bergamo P, Luini A, Ruvo M, Gogliettino M, Langella E, Saviano M, Hegde RN, Sandomenico A, Rossi M
Acylpeptide hydrolase inhibition as targeted strategy to induce proteasomal down-regulation
Plosone (ISSN: 1932-6203, 1932-6203electronic, 1932-6203linking), 2011 Oct 10; 6(10): e25888-e25888.

Falciani C, Accardo A, Brunetti J, Tesauro D, Lelli B, Pini A, Bracci L, Morelli G
Target-Selective Drug Delivery through Liposomes Labeled with Oligobranched Neurotensin Peptides
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2011 Apr 4; 6(4): 678-685.

Barile E, Leone M, Barile E, Dahl R, Pellecchia M
Design and NMR Studies of Cyclic Peptides Targeting the N-Terminal Domain of the Protein Tyrosine Phosphatase YopH
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2011 Jan; 77(1): 12-19.

Alterio V, Monti SM, Truppo E, Pedone C, Supuran CT, De Simone G
The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: The carbonic anhydrase I-topiramate complex
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2010 Sep 7; 8(15): 3528-3533.

Langella E, Pierre S, Ghattas W, Giorgi M, Réglier M, Saviano M, Esposito L, Hardré R
Probing The Peptidylglycine Alpha-Hydroxylating Monooxygenase Active Site With Novel 4-Phenyl-3-Butenoic Acid Based Inhibitors
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2010 Sep 3; 5(9): 1568-1576.

Di Fiore A, Truppo E, Supuran CT, Alterio V, Dathan N, Bootorabi F, Parkkila S, Monti SM, De Simone G
Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide
Bioorg Med Chem Lett (ISSN: 0960-894x), 2010 Sep 1; 20(17): 5023-5026.

Leone M, Barile E, Vazquez J, Mei A, Guiney D, Dahl R, Pellecchia M
NMR-based design and evaluation of novel bidentate inhibitors of the protein tyrosine phosphatase YopH
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2010 Jul; 76(1): 10-16.

Scudiero O, Galdiero S, Cantisani M, Di Noto R, Vitiello M, Galdiero M, Naclerio G, Cassiman JJ, Pedone C, Castaldo G, Salvatore F
Novel synthetic, salt-resistant analogs of human beta-defensins 1 and 3 endowed with enhanced antimicrobial activity
Antimicrob Agents Ch (ISSN: 1098-6596, 0066-4804), 2010 Jun; 54(6): 2312-2322.

De Simone G, Supuran CT
Carbonic anhydrase IX: Biochemical and crystallographic characterization of a novel antitumor target
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2010 Feb; 1804(2): 404-409.

Guler OO, De Simone G, Supuran CT
Drug design studies of the novel antitumor targets carbonic anhydrase IX and XII
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2010; 17(15): 1516-1526.

Supuran CT, Di Fiore A, Alterio V, Monti SM, De Simone G
Recent advances in structural studies of the carbonic anhydrase family: The crystal structure of human CA IX and CA XIII
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2010; 16(29): 3246-3254.

Vitale RM, Alterio V, Innocenti A, Winum JY, Monti SM, De Simone G, Supuran CT
Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis- sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2009 Oct 8; 52(19): 5990-5998.

Alterio V, Hilvo M, Di Fiore A, Supuran CT, Pan P, Parkkila S, Scaloni A, Pastorek J, Pastorekova S, Pedone C, Scozzafava A, Monti SM, De Simone G
Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2009 Sep 22; 106(38): 16233-16238.

Carriero MV, Longanesi-cattani I, Bifulco K, Maglio O, Lista L, Barbieri A, Votta G, Masucci MT, Arra C, Franco R, De Rosa M, Stoppelli MP, Pavone V
Structure-based design of an urokinase-type plasminogen activator receptor-derived peptide inhibiting cell migration and lung metastasis
Mol Cancer Ther (ISSN: 1535-7163, 1538-8514electronic, 1535-7163linking), 2009 Sep; 8(9): 2708-2717.

De Simone G, Scozzafava A, Supuran CT
Which Carbonic Anhydrases are Targeted by the Antiepileptic Sulfonamides and Sulfamates?
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2009 Sep; 74(3): 317-321.

De Bona P, Giuffrida ML, Caraci F, Copani A, Pignataro B, Attanasio F, Cataldo S, Pappalardo G, Rizzarelli E
Design And Synthesis Of New Trehalose-Conjugated Pentapeptides As Inhibitors Of Abeta (1-42) Fibrillogenesis And Toxicity
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 220-228.

Morisco A, Accardo A, Gianolio E, Tesauro D, Benedetti E, Morelli G
Micelles derivatized with octreotide as potential target-selective contrast agents in MRI
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 242-250.

Di Fiore A, Monti SM, Hilvo M, Parkkila S, Romano V, Scaloni A, Pedone C, Scozzafava A, Supuran CT, De Simone G
Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Jan; 74(1): 164-175.

De Simone G, Supuran CT
Drug Design of Antiobesity Carbonic Anhydrase Inhibitors
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; 66(DECEMBERSPEC.I): 241-254.

Alterio V, Di Fiore A, D'Ambrosio K, Supuran CT, De Simone G
X-Ray Crystallography of Carbonic Anhydrase Inhibitors and Its Importance in Drug Design
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; N/D: 73-138.

Marasco D, Perretta G, Sabatella M, Ruvo M
Past and Future Perspectives of Synthetic Peptide Libraries
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2008 Oct; 9(5): 447-467.

Roviello GN, Musumeci D, Bucci EM, Castiglione M, Cesarani A, Pedone C, Piccialli G
Evidences for complex formation between l-dabPNA and aegPNA
Bioorg Med Chem Lett (ISSN: 0960-894x, 1464-3405, 1464-3405electronic), 2008 Sep 1; 18(17): 4757-4760.

Di Fiore A, Pedone C, Antel J, Waldeck H, Witte A, Wurl M, Scozzafava A, Supuran CT, De Simone G
Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors
Bioorg Med Chem Lett (ISSN: 1464-3405, 0960-894x, 1464-3405electronic), 2008 Apr 15; 18(8): 2669-2674.

De Simone G, Di Fiore A, Supuran CT
Are carbonic anhydrase inhibitors suitable for obtaining antiobesity drugs?
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2008 Mar; 14(7): 655-660.

D'Andrea LD, Testa I, Panico M, Di Stasi R, Carac C, Tarallo L, Arra C, Barbieri A, Romanelli A, Aloj L
In vivo and in vitro characterization of CCK8 bearing a histidine-based chelator labeled with Tc-99m-tricarbonyl
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2008; 90(5): 707-712.

Alterio V, De Simone G, Monti SM, Scozzafava A, Supuran CT
Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1, 3-disulfonamides-Solution and crystallographic studies
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Sep 1; 17(15): 4201-4207.

Del Vecchio S, Zannetti A, Fonti R, Pace L, Salvatore M
Nuclear imaging in cancer theranostics
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Di Fiore A, Scozzafava A, Winum JY, Montero JL, Pedone C, Supuran CT, De Simone G
Carbonic anhydrase inhibitors: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Mar 15; 17(6): 1726-1731.

Roviello GN, Musumeci D, Moccia M, Castiglione M, Sapio R, Valente M, Bucci EM, Perretta G, Pedone C
Dabpna: Design, Synthesis And Nucleic Acids Binding Studies
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(10-12): 1307-1310.

Bucci EM, Valente M, Musumeci D, Sapio R, Anrò V, Roviello GN, Moccia M
ODN-based drugs for targeting of extracellular proteins
Nucleosides Nucleotides Nucleic Acids (ISSN: 1525-7770), 2007; 26(8-9): 1047-1050.

Benedetti E, Pedone C, Saviano M
Structure-activity relationships in peptides: From modelling to rational drug design
Front Drug Des And Discov (ISSN: 1574-0889), 2007; 3(1): 539-558.

De Luca S, Saviano M, Della Moglie R, Digilio G, Bracco C, Aloj L, Tarallo L, Pedone C, Morelli G
Conformationally constrained CCK8 analogues obtained from a rationally designed peptide library as ligands for cholecystokinin type B receptor
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2006 Sep; 1(9): 997-1006.

Del Gatto A, Zaccaro L, Grieco P, Novellino E, Zannetti A, Del Vecchio S, Iommelli F, Salvatore M, Pedone C, Saviano M
Novel And Selective Alpha (v) Beta3 Receptor Peptide Antagonist: Design, Synthesis, And Biological Behavior
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Jun 1; 49(11): 3416-3420.

Musumeci D, Valente M, Capasso D, Palumbo R, Gorlach M, Schmidtke M, Zell R, Roviello  GN, Sapio R, Pedone C, Bucci EM
A short PNA targeting coxsackievirus B3 5′-nontranslated region prevents virus-induced cytolysis
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Mar; 12(3): 161-170.

D'Andrea LD, Del Gatto A, Pedone C, Benedetti E
Peptide-based molecules in angiogenesis
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285, 1747-0277linking), 2006 Feb; 67(2): 115-126.

Di Fiore A, Pedone C, D'Ambrosio K, Scozzafava A, De Simone G, Supuran CT
Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II 'selective' inhibitor celecoxib
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Jan 15; 16(2): 437-442.

Benedetti E, Morelli G, Accardo A, Mansi R, Tesauro D, Aloj L
Criteria for the design and biological characterization of radiolabeled peptide-based pharmaceuticals
Biodrugs (ISSN: 1173-8804), 2004; 18(5): 279-295.

De Luca S, Ragone R, Bracco C, Digilio G, Aloj L, Tesauro D, Saviano M, Pedone C, Morelli G
A cyclic CCK8 analogue selective for the cholecystokinin type A receptor: design, synthesis, NMR structure and binding measurements
Chembiochem (ISSN: 1439-7633, 1439-4227, 1439-7633electronic), 2003 Nov 7; 4(11): 1176-1187.

Lombardi A, De Simone G, Galdiero S, Staiano N, Nastri F, Pavone V
From natural to synthetic multisite thrombin inhibitors
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1999; 51(1): 19-39.

Lombardi A, D'Agostino B, Nastri F, D'Andrea LD, Filippelli A, Falciani M, Rossi F, Pavone V
A novel super-potent neurokinin A receptor antagonist containing dehydroalanine
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894xprint, 0960-894xlinking), 1998 May 19; 8(10): 1153-1156.

Nastri F, Lombardi A, D'Andrea LD, Sanseverino M, Maglio O, Pavone V
Miniaturized hemoproteins
Biopolymers (ISSN: 0006-3525print, 0006-3525linking, 1097-0282electronic), 1998; 47(1): 5-22.

Fattorusso R, Morelli G, Lombardi A, Nastri F,  maglio O, D'Auria G, Pedone C, Pavone V
Design of metal ion binding peptides
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1995; 37(6): 401-410.