De Simone G, Di Fiore A, Truppo E, Langella E, Vullo D, Supuran CT, Monti SM

Exploration of the residues modulating the catalytic features of human carbonic anhydrase XIII by a site-specific mutagenesis approach
J Enzyme Inhib Med Chem (ISSN: 1475-6366linking), 2019 Dec; 34(1): 1506-1510.

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 Enzyme Inhib Med Chem (ISSN: 1475-6366linking), 2019 Dec; 34(1): 1498-1505.

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.

De Simone G

Targeted treatment of anaerobic cancer. Patent evaluation of US2016279084 and US2017056350
Expert Opin Ther Pat (ISSN: 1744-7674electronic, 1354-3776linking), 2019 Jan; 29(1): 1-6.

Alterio V, Esposito D, Monti SM, Supuran CT, De Simone G

Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2, 4, 6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor
J Enzym Inhib Med Ch (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 151-157.

De Simone G, Angeli A, Bozdag M, Supuran CT, Winum JY, Monti SM, Alterio V

Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding
Chem Commun (ISSN: 1364-548xelectronic, 1359-7345linking), 2018 Sep 11; 54(73): 10312-10315.

Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM

Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX
Cell Mol Life Sci, 2018 Sep; 75: 3283-3296.

Supuran CT, Alterio V, Di Fiore A, D'Ambrosio K, Carta F, Monti SM, De Simone G

Inhibition of carbonic anhydrase IX targets primary tumors, metastases, and cancer stem cells: Three for the price of one
Med Res Rev (ISSN: 1098-1128electronic, 0198-6325linking), 2018 Sep; 38(6): 1799-1836.

Di Fiore A, Monti DM, Scaloni A, De Simone G, Monti SM

Protective Role of Carbonic Anhydrases III and VII in Cellular Defense Mechanisms upon Redox Unbalance
Oxid Med Cell Longev (ISSN: 1942-0994linking), 2018 Aug 5; 2018:2018306: 2018306-2018306.

Buonanno M, Di Fiore A, Langella E, D’ambrosio K, Supuran CT, Monti SM, De Simone G

The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2018 May; 19(6): 19-24.

D'Ambrosio K, Supuran CT, De Simone G

Are Carbonic Anhydrases Suitable Targets to Fight Protozoan Parasitic Diseases?
Curr Med Chem (ISSN: 1875-533xelectronic, 0929-8673linking), 2018; 25(39): 5266-5278.

De Simone G, D'Ambrosio K

Recent Advances in the Development of New Therapeutic Tools Against Major Parasitic Diseases
Curr Med Chem (ISSN: 0929-8673linking), 2018; 25(39): 5238-5238.

De Simone G, Langella E, Esposito D, Supuran CT, Monti SM, Winum JY, Alterio V

Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic), 2017 Dec; 32(1): 1002-1011.

Monti DM, De Simone G, Langella E, Supuran CT, Di Fiore A, Monti SM

Insights into the role of reactive sulfhydryl groups of Carbonic Anhydrase III and VII during oxidative damage
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic), 2017 Dec; 32(1): 5-12.

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.

Buonanno M, Langella E, Zambrano N, Succoio M, Sasso E, Alterio V, Di Fiore A, Sandomenico A, Supuran CT, Scaloni A, Monti SM, De Simone G

Disclosing the Interaction of Carbonic Anhydrase IX with Cullin-Associated NEDD8-Dissociated Protein 1 by Molecular Modeling and Integrated Binding Measurements
Acs Chem Biol (ISSN: 1554-8929), 2017 Apr 19; N/D: N/D-N/D.

Alterio V, Cadoni R, Esposito D, Vullo D, Fiore AD, Monti SM, Caporale A, Ruvo M, Sechi M, Dumy P, Supuran CT, De Simone G, Winum JY

Benzoxaborole as a new chemotype for carbonic anhydrase inhibition
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2016 Sep 29; 52(80): 11983-11986.

Vullo D, Supuran CT, Scozzafava A, De Simone G, Monti SM, Alterio V, Carta F

Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1, 6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2016 Aug 15; 24(16): 3643-3648.

Di Fiore A, De Simone G, Alterio V, Riccio V, Winum JY, Carta F, Supuran CT

The anticonvulsant sulfamide JNJ-26990990 and its S, S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2016 Jun 07; 14(21): 4853-4858.

Del Prete S, De Luca V, De Simone G, Supuran CT, Capasso C

Cloning, expression and purification of the complete domain of the eta-carbonic anhydrase from Plasmodium falciparum
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic), 2016 Jun; 31(sup4): 54-59.

Monti SM, De Simone G, D'Ambrosio K

L-Histidinol Dehydrogenase as a New Target for Old Diseases
Curr Top Med Chem (ISSN: 1568-0266, 1568-0266linking), 2016 Apr 13; 16(21): 2369-2378.

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.

Monti SM, D'Ambrosio K, De Simone G

Editorial (Thematic Issue: Bacterial Metallo-Enzymes as Drug Targets)
Curr Top Med Chem (ISSN: 1568-0266, 1568-0266linking), 2016; 16(21): 2329-2329.

La Regina G, Coluccia A, Famiglini V, Pelliccia S, Monti L, Vullo D, Nuti E, Alterio V, De Simone G, Monti SM, Pan P, Parkkila S, Supuran CT, Rossello A, Silvestri R

Discovery of 1, 1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2015 Nov 12; 58(21): 8564-8572.

Di Fiore A, Vergara A, Caterino M, Alterio V, Monti SM, Ombouma J, Dumy P, Vullo D, Supuran CT, Winum JY, De Simone G

Hydroxylamine-O-sulfonamide is a versatile lead compound for the development of carbonic anhydrase inhibitors
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jul 2; 51(57): 11519-11522.

De Simone G, Monti SM, Alterio V, Buonanno M, De Luca V, Rossi M, Carginale V, Supuran CT, Capasso C, Di Fiore A

Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense
Bioorg Med Chem Lett (ISSN: 0960-894x), 2015 May 1; 25(9): 2002-2006.

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.

Alterio V, Langella E, De Simone G, Monti SM

Cadmium-containing carbonic anhydrase CDCA1 in marine diatom Thalassiosira weissflogii
Mar Drugs (ISSN: 1660-3397), 2015 Apr; 13(4): 1688-1697.

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.

Monti SM, Supuran CT, De Simone G, Di Fiore A

Carbonic Anhydrase VII
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 151-168.

Supuran CT, De Simone G

Carbonic Anhydrases: An Overview
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 3-13.

Monti SM, De Simone G, Supuran CT, Alterio V

CDCA1 From Thalassiosira weissflogii as Representative Member of ζ-Class CAs: General Features and Biotechnological Applications
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 351-359.

D'Ambrosio K, De Simone G, Supuran CT

Human Carbonic Anhydrases: Catalytic Properties, Structural Features, and Tissue Distribution
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 17-30.

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.

Di Fiore A, Alterio V, Monti SM, De Simone G, D’Ambrosio K

Thermostable carbonic anhydrases in biotechnological applications
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(7): 15456-15480.

Limauro D, De Simone G, Pirone L, Bartolucci S, D'Ambrosio K, Pedone E

Sulfolobus solfataricus thiol redox puzzle: characterization of an atypical protein disulfide oxidoreductase
Extremophiles (ISSN: 1431-0651, 1433-4909, 1433-4909electronic), 2014 Mar; 18(2): 219-228.

Troise AD, Dathan NA, Fiore A, Roviello G, Di Fiore A, Caira S, Cuollo M, De Simone G, Fogliano V, Monti SM

Faox enzymes inhibited Maillard reaction development during storage both in protein glucose model system and low lactose UHT milk
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2014 Feb; 46(2): 279-288.

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.

Dathan NA, Alterio V, Troiano E, Vullo D, Ludwig M, De Simone G, Supuran CT, Monti SM

Biochemical Characterization Of The Chloroplastic β-Carbonic Anhydrase From Flaveria Bidentis (l. ) "kuntze"
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2014; 29(4): 500-504.

De Simone G, Pizika G, Monti SM, Di Fiore A, Ivanova J, Vozny I, Trapencieris P, Zalubovskis R, Supuran CT, Alterio V

Hydrophobic substituents of the phenylmethylsulfamide moiety can be used for the development of new selective carbonic anhydrase inhibitors
Biomed Res Int (ISSN: 2314-6133, 2314-6141), 2014; 2014: 523210-523210.

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.

Rami M, Dubois L, Parvathaneni NK, Alterio V, van Kuijk SJ, Monti SM, Lambin P, De Simone G, Supuran CT, Winum JY

Hypoxia-targeting carbonic anhydrase IX inhibitors by a new series of nitroimidazole-sulfonamides/sulfamides/sulfamates
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8512-8520.

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.

Di Fiore A, Capasso C, De Luca V, Monti SM, Carginale V, Supuran CT, Scozzafava A, Pedone C, Rossi M, De Simone G

X-ray structure of the first 'extremo-alpha-carbonic anhydrase', a dimeric enzyme from the thermophilic bacterium Sulfurihydrogenibium yellowstonense YO3AOP1
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jun; 69(6): 1150-1159.

Monti SM, De Simone G, Dathan NA, Ludwig M, Vullo D, Scozzafava A, Capasso C, Supuran CT

Kinetic And Anion Inhibition Studies Of A Beta-Carbonic Anhydrase (fbica 1) From The C-4 Plant Flaveria Bidentis
Bioorg Med Chem Lett (ISSN: 0960-894x), 2013 Mar 15; 23(6): 1626-1630.

Buanne P, Renzone G, Monteleone F, Vitale M, Monti SM, Sandomenico A, Garbi C, Montanaro D, Accardo M, Troncone G, Zatovicova M, Csaderova L, Supuran CT, Pastorekova S, Scaloni A, De Simone G, Zambrano N

Characterization of carbonic anhydrase ix interactome reveals proteins assisting its nuclear localization in hypoxic cells
J Proteome Res (ISSN: 1535-3893), 2013 Jan; 12(1): 282-292.

Del Giudice R, Monti DM, Truppo E, Arciello A, Supuran CT, De Simone G, Monti SM

Human Carbonic Anhydrase Vii Protects Cells From Oxidative Damage
Biol Chem Biological Chemistry (ISSN: 1431-6730, 1431-1673, 1437-4315), 2013; 394(10): 1343-1348.

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.

De Simone G, Supuran CT

(In)organic anions as carbonic anhydrase inhibitors
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2012 Jun; 111: 117-129.

Alterio V, Langella E, Viparelli F, Vullo D, Ascione G, Dathan NA, Morel FM, Supuran CT, De Simone G, Monti SM

Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 May; 94(5): 1232-1241.

Truppo E, Supuran CT, Sandomenico A, Vullo D, Innocenti A, Di Fiore A, Alterio V, De Simone G, Monti SM

Carbonic anhydrase VII is S-glutathionylated without loss of catalytic activity and affinity for sulfonamide inhibitors
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2012 Feb 15; 22(4): 1560-1564.

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.

Monti SM, Maresca A, Viparelli F, Carta F, De Simone G, Muehlschlegel FA, Scozzafava A, Supuran CT

Dithiocarbamates are strong inhibitors of the beta-class fungal carbonic anhydrases from Cryptococcus neoformans, Candida albicans and Candida glabrata
Bioorg Med Chem Lett (ISSN: 0960-894x), 2012 Jan 15; 22(2): 859-862.

D'Ambrosio K, Smaine F-Z, Carta F, De Simone G, Winum J-Y, Supuran CT

Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012; 55(15): 6776-6783.

Di Fiore A, Maresca A, Supuran CT, De Simone G

Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2012; 48(70): 8838-8840.

Pirone L, Correale S, De Paola I, Zaccaro L, De Simone G, Vitagliano L, Pedone E, Di Gaetano S

Design, synthesis and characterization of a peptide able to bind proteins of the KCTD family: implications for KCTD - cullin 3 recognition
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2011 May; 17(5): 373-376.

Contursi P, D'Ambrosio K, Pirone L, Pedone E, Aucelli T, She Q, De Simone G, Bartolucci S

C68 from the Sulfolobus islandicus plasmid-virus pSSVx is a novel member of the AbrB-like transcription factor family
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2011 Apr 1; 435(1): 157-166.

Di Fiore A, Maresca A, Alterio V, Supuran CT, De Simone G

Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2011; 47(42): 11636-11638.

Pedone E, Limauro D, D'Ambrosio K, De Simone G, Bartolucci S

Multiple catalytically active thioredoxin folds: a winning strategy for many functions
Cell Mol Life Sci Cellular And Molecular Life Sciences (ISSN: 1420-682x), 2010 Nov; 67(22): 3797-3814.

Limauro D, D'Ambrosio K, Langella E, De Simone G, Galdi I, Pedone C, Pedone E, Bartolucci S

Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus
Biochimie (ISSN: 1638-6183, 0300-9084, 1638-6183electronic), 2010 Oct; 92(10): 1435-1444.

Viparelli F, Monti SM, De Simone G, Innocenti A, Scozzafava A, Xu Y, Morel FMM, Supuran CT

Inhibition Of The R1 Fragment Of The Cadmium-Containing Zeta-Class Carbonic Anhydrase From The Diatom Thalassiosira Weissflogii With Anions
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Sep 15; 20(16): 4745-4748.

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.

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.

Alterio V, Aurilia V, Romanelli A, Parracino A, Saviano M, D'Auria S, De Simone G

Crystal structure of an S-formylglutathione hydrolase from pseudoalteromonas haloplanktis TAC125
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 Sep; 93(8): 669-677.

Di Fiore A, Monti SM, Innocenti A, Winum J-Y, De Simone G, Supuran CT

Carbonic anhydrase inhibitors: Crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Jun 15; 20(12): 3601-3605.

De Simone G, Supuran CT

Carbonic anhydrase IX: Biochemical and crystallographic characterization of a novel antitumor target
Bba-Mol Basis Dis (ISSN: 1570-9639, 0006-3002, 0925-4439), 2010 Feb; 1804(2): 404-409.

Canettieri G, Di Marcotullio L, Greco A, Coni S, Antonucci L, Infante P, Pietrosanti L, De Smaele E, Ferretti E, Miele E, Pelloni M, De Simone G, Pedone E, Gallinari P, Giorgi A, Steinkuhler C, Vitagliano L, Pedone C, Schinin ME, Screpanti I, Gulino A

Histone deacetylase and Cullin3-REN(KCTD11) ubiquitin ligase interplay regulates Hedgehog signalling through Gli acetylation
Nature Cell Biol Nature Cell Biology (ISSN: 1476-4679, 1465-7392), 2010 Feb; 12(2): 132-142.

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.

Innocenti A, Pastorekova S, Pastorek J, Scozzafava A, De Simone G, Supuran CT

The proteoglycan region of the tumor-associated carbonic anhydrase isoform IX acts as anintrinsic buffer optimizing CO2 hydration at acidic pH values characteristic of solid tumors
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2009 Oct 15; 19(20): 5825-5828.

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.

D'Ambrosio K, Limauro D, Pedone E, Galdi I, Pedone C, Bartolucci S, De Simone G

Insights into the catalytic mechanism of the Bcp family: functional and structural analysis of Bcp1 from Sulfolobus solfataricus
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Sep; 76(4): 995-1006.

De Simone G, Scozzafava A, Supuran CT

Which Carbonic Anhydrases are Targeted by the Antiepileptic Sulfonamides and Sulfamates?
Chem Biol Drug Des Chemical Biology And Drug Design (ISSN: 1747-0277, 1747-0285), 2009 Sep; 74(3): 317-321.

Di Fiore A, Fiorentino G, Vitale RM, Ronca R, Amodeo P, Pedone C, Bartolucci S, De Simone G

Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins
J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic), 2009 May 8; 388(3): 559-569.

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.

Hilvo M, De Simone G, Supuran CT, Parkkila S

Advances in the Inhibitory and Structural Investigations on Carbonic Anhydrase Isozymes XIII and XV
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; N/D: 273-283.

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.

Hilvo M, Baranauskiene L, Salzano AM, Scaloni A, Matulis D, Innocenti A, Scozzafava A, Monti SM, Di Fiore A, De Simone G, Lindfors M, Janis J, Valjakka J, Pastorekova S, Pastorek J, Kulomaa MS, Nordlund HR, Supuran CT, Parkkila S

Biochemical characterization of CA IX, one of the most active carbonic anhydrase isozymes
J Biol Chem (ISSN: 0021-9258, 1083-351x), 2008 Oct 10; 283(41): 27799-27809.

Woo LWL, Fischer DS, Sharland CM, Trusselle M, Foster PA, Chander SK, Di Fiore A, Supuran CT, De Simone G, Purohit A, Reed MJ, Potter BVL

Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography
Mol Cancer Ther (ISSN: 1535-7163, 1538-8514electronic), 2008 Sep; 7(8): 2435-2444.

D'Ambrosio K, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A, De Simone G, Supuran CT

Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2008 Jun 12; 51(11): 3230-3237.

Supuran CT, Di Fiore A, De Simone G

Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity
Expert Opin Emerg Drugsexpert Opinion On Emerging Drugs (ISSN: 1472-8214), 2008 Jun; 13(2): 383-392.

Mandrich L, Menchise V, Alterio V, De Simone G, Pedone C, Rossi M, Manco G

Functional and structural features of the oxyanion hole in a thermophilic esterase from Alicyclobacillus acidocaldarius
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2008 Jun; 71(4): 1721-1731.

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.

Innocenti A, Scozzafava A, Parkkila S, Puccetti L, De Simone G, Supuran CT

Investigations of the esterase, phosphatase, and sulfatase activities of the cytosolic mammalian carbonic anhydrase isoforms I, II, and XIII with 4-nitrophenyl esters as substrates
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2008 Apr 1; 18(7): 2267-2271.

Leese MP, Jourdan FL, Gaukroger K, Mahon MF, Newman SP, Foster PA, Stengel C, Regis-Lydi S, Ferrandis E, Di Fiore A, De Simone G, Supuran CT, Purohit A, Reed MJ, Potter BVL

Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2008 Mar 13; 51(5): 1295-1308.

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'Ambrosio K, Masereel B, Thiry A, Scozzafava A, Supuran CT, De Simone G

Carbonic anhydrase inhibitors: Binding of indanesulfonamides to the human isoform II
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2008 Mar; 3(3): 473-477.

Supuran CT, De Simone G

Carbonic anhydrases--an overview
Curr Pharm Des, 2008; 14(7): 603-614.

Hilvo M, Innocenti A, Monti SM, De Simone G, Supuran CT, Parkkila S

Recent advances in research on the most novel carbonic anhydrases, CA XIII and XV
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2008; 14(7): 672-678.

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.

Vitale RM, Pedone C, Amodeo P, Antel J, Wurl M, Scozzafava A, Supuran CT, De Simone G

Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2007 Jun 15; 15(12): 4152-4158.

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.

De Simone G, Supuran CT

Antiobesity carbonic anhydrase inhibitors
Curr Top Med Chem (ISSN: 1568-0266, 1568-0266linking, 1873-4294electronic), 2007; 7(9): 879-884.

Leese MP, Leblond B, Smith A, Newman SP, Di Fiore A, De Simone G, Supuran CT, Purohit A, Reed MJ, Potter BVL

2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity
J Med Chem (ISSN: 0022-2623print, 0022-2623linking, 1520-4804), 2006 Dec 28; 49(26): 7683-7696.

Menchise V, De Simone G, Di Fiore A, Scozzafava A, Supuran CT

Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1, 3, 4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)1, 3, 4-thiadiazole-2-sulfon amide to human isoform II
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Dec 15; 16(24): 6204-6208.

D'Ambrosio K, Pedone E, Langella E, De Simone G, Rossi M, Pedone C, Bartolucci S

A novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: Structure, function and electrostatics
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2006 Sep 29; 362(4): 743-752.

De Simone G, Vitale RM, Di Fiore A, Pedone C, Scozzafava A, Montero JL, Winum JY, Supuran CT

Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Sep 7; 49(18): 5544-5551.

Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT

Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jun 28; 128(25): 8329-8335.

Cappiello M, Alterio  V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U

A new spot test for sulfhydryl-containing compounds
Anal Biochem, 2006 Mar 14; 79(1-2): 610-611.

Cappiello M, Alterio V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U

Metal ion substitution in the catalytic site greatly affects the binding of sulfhydryl-containing compounds to leucyl aminopeptidase
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Mar 14; 45(10): 3226-3234.

Pedone E, D'Ambrosio K, De Simone G, Rossi M, Pedone C, Bartolucci S

Insights on a new PDI-like family: Structural and functional analysis of a protein disulfide oxidoreductase from the bacterium Aquifex aeolicus
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2006 Feb 10; 356(1): 155-164.

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.

Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT

Carbonic anhydrase inhibitors: Stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2005 Sep 8; 48(18): 5721-5727.

De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT

Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 May 2; 15(9): 2315-2320.

Di Fiore A, De Simone G, Menchise V, Pedone C, Casini A, Scozzafava A, Supuran CT

Carbonic anhydrase inhibitors: X-ray crystal structure of a benzenesulfonamide strong CA II and CA IX inhibitor bearing a pentafluorophenylaminothioureido tail in complex with isozyme II
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 Apr 1; 15(7): 1937-1942.

D'Ambrosio K, De Simone G, Pedone E, Rossi M, Bartolucci S, Pedone C

Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aeropyrum pernix K1
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2005 Mar 1; 61(3): 335-336.

D'Ambrosio K, De Simone G, Pedone E, Rossi M, Bartolucci S, Pedone C

Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aquifex aeolicus
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2004 Nov; 60(11): 2076-2077.

De Simone G, Menchise V, Alterio V, Mandrich L, Rossi M, Manco G, Pedone C

The crystal structure of an EST2 mutant unveils structural insights on the H group of the carboxylesterase/lipase family
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2004 Oct 8; 343(1): 137-146.

De Simone G, Mandrich L, Menchise V, Giordano V, Febbraio F, Rossi M, Pedone C, Manco G

A substrate-induced switch in the reaction mechanism of a thermophilic esterase - Kinetic evidences and structural basis
J Biol Chem (ISSN: 0021-9258, 1083-351x), 2004 Feb 20; 279(8): 6815-6823.

Menchise V, De Simone G, Tedeschi T, Corradini R, Sforza S, Marchelli R, Capasso D, Saviano M, Pedone C

Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2003 Oct 14; 100(21): 12021-12026.

Sorrentino N, De Simone G, Menchise V, Mandrich L, Rossi M, Manco G, Pedone C

Crystallization and preliminary X-ray diffraction studies of Aes acetyl-esterase from Escherichia coli
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2003 Oct; 59(10): 1846-1848.

De Simone G, Menchise V, Omaggio S, Pedone C, Scozzafava A, Supuran CT

Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: Molecular and X-ray crystallographic studies
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Sep 5; 42(30): 9013-9021.

Bartolucci S, De Simone G, Galdiero S, Improta R, Menchise V, Pedone C, Pedone E, Saviano M

An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius
J Bacteriol Journal Of Bacteriology (ISSN: 0021-9193, 1098-5530), 2003 Jul; 185(14): 4285-4289.

Menchise V, De Simone G, Corradini R, Sforza S, Sorrentino N, Romanelli A, Saviano M, Pedone C

Crystallization and preliminary X-ray diffraction studies of a D-lysine-based chiral PNA-DNA duplex
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2002 Mar; 58(3): 553-555.

De Simone G, Menchise V, Manco G, Mandrich L, Sorrentino N, Lang D, Rossi M, Pedone C

The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2001 Nov 30; 314(3): 507-518.

De Simone G, Galdiero S, Manco G, Lang D, Rossi M, Pedone C

A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2000 Nov 10; 303(5): 761-771.

Pavone V, Lombardi A, Saviano M, De Simone G, Nastri F, Maglio O, Omote Y, Yamanaka Y, Yamada T

Conformational behavior of C(α, α)-diphenyl glycine: Extended conformation in tripeptides containing consecutive Dφg residues
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 161-168.

De Simone G, Lombardi A, Galdiero S, Nastri F, Di Costanzo L, Gohda S, Sano A, Yamada T, Pavone V

The crystal structure of a Dcp-containing peptide
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 182-188.

Lombardi A, De Simone G, Galdiero S, Nastri F, Di Costanzo L, Makihiara K, Yamada T, Pavone V

The crystal structure of Afc-containing peptide
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 150-160.

De Simone G, Manco G, Galdiero S, Lombardi A, Rossi M, Pavone V

Crystallization and preliminary X-ray diffraction studies of the carboxylesterase EST2 from Alicyclobacillus acidocaldarius
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 1999 Jul; 55(7): 1348-1349.

Lombardi A, De Simone G, Nastri F, Galdiero S, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V

The crystal structure of alpha-thrombin-hinunorm IV complex reveals a novel specificity site recognition mode
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1999 Jan; 8(1): N/D-N/D.

Lombardi A, De Simone G, Nastri F, Galdiero S, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V

The Crystal Structure Of Alpha-Thrombin-Hirunorm Iv Complex Reveals A Novel Specificity Site Recognition Mode
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1999 Jan; 8(1): 91-95.

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.

Pavone V, De Simone G, Nastri F, Galdiero S, Staiano N, Lombardi A, Pedone C

Multiple binding mode of reversible synthetic thrombin inhibitors. A comparative structural analysis
Biol Chem Biological Chemistry (ISSN: 1431-6730, 1437-4315), 1998 Sep; 379(8-9): 987-1006.

De Simone G, Lombardi A, Galdiero S, Nastri F, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V

Hirunorms Are True Hirudin Mimetics. The Crystal Structure Of Human Alpha-Thrombin-Hirunorm V Complex
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Feb; 7(2): 243-253.

Di Blasio B, Galdiero S, Saviano M, De Simone G, Benedetti E, Pedone C, Gibbons WA, Deschenaux R, Rizzarelli E, Vecchio G

Functionalized cyclodextrins: Synthesis and structural characterization of 6-deoxy-6-{4-[N-tert-butoxycarbonyl-2-aminoethyl]-imidazolyl}-cyclomaltoheptaose
Supramol Chem (ISSN: 1061-0278), 1996; 7(1): 47-54.

Di Blasio B, Saviano M, Del Duca V, De Simone G, Rossi F, Pedone C, Benedetti E, Lorenzi GP

CONFORMATIONAL STUDIES OF HETEROCHIRAL PEPTIDES WITH DIASTEREOISOMERIC RESIDUES - CRYSTAL AND MOLECULAR-STRUCTURES OF LINEAR DIPEPTIDES DERIVED FROM LEUCINE, ISOLEUCINE, AND ALLO-ISOLEUCINE
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1995 Oct; 36(4): 401-408.

Ferrara LA, Mancini M, De Simone GD, Turco S, Iovine C, Marotta T, Mainenti G, Mancini M

Responses of serum insulin and blood pressure to cold and handgrip in obese patients
Int J Cardiol (ISSN: 0167-5273, 1874-1754electronic), 1991 Sep; 32(3): 353-359.