Di Fiore A, Supuran CT, Scaloni A, De Simone G
Human carbonic anhydrases and post-translational modifications: a hidden world possibly affecting protein properties and functions
J Enzyme Inhib Med Chem, 2020 Jul; 35(1): 1450-1461.

Nocentini A, Alterio V, Bua S, Micheli L, Esposito D, Buonanno M, Bartolucci G, Osman SM, Alothman ZA, Cirilli R, Pierini M, Monti SM, Di Cesare Mannelli L, Gratteri P, Ghelardini C, De Simone G, Supuran CT
Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy
J Med Chem, 2020 May 28; 63(10): 5185-5200.

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 Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 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 Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 2019 Dec; 34(1): 1498-1505.

Esposito L, Donnarumma F, Ruggiero A, Leone S, Vitagliano L, Picone D
Structure, stability and aggregation propensity of a Ribonuclease A-Onconase chimera
Int J Biol Macromol (ISSN: 0141-8130linking, 1879-0003electronic), 2019 Jul 15; 133: 1125-1133.

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.

Monti SM, Meccariello A, Ceruso M, Szafranski K, Slawinski J, Supuran CT
Inhibition studies of Brucella suis beta-carbonic anhydrases with a series of 4-substituted pyridine-3-sulphonamides
J Enzym Inhib Med Ch (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 255-259.

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.

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.

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.

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.

Merlino A, Marzo T, Messori L
Protein Metalation by Anticancer Metallodrugs: A Joint ESI MS and XRD Investigative Strategy
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2017 May 23; 23(29): 6942-6947.

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.

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.

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.

Mishra CB, Kumari S, Angeli A, Monti SM, Buonanno M, Prakash A, Tiwari M, Supuran CT
Design, synthesis and biological evaluation of N-(5-methyl-isoxazol-3-yl/1, 3, 4-thiadiazol-2-yl)-4-(3-substitutedphenylureido) benzenesulfonamides as human carbonic anhydrase isoenzymes I, II, VII and XII inhibitors
J Enzyme Inhib Med Chem, 2016; 17: 1-6.

Pica A, Chi M-C, Chen Y-Y, D'Ischia M, Lin L-L, Merlino A
The maturation mechanism of γ-glutamyl transpeptidases: Insights from the crystal structure of a precursor mimic of the enzyme from Bacillus licheniformis and from site-directed mutagenesis studies
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2016; 1864(2): 195-203.

Supuran CT, De Simone G
Carbonic Anhydrases: An Overview
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 3-13.

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.

Ceruso M, Carta F, Osman SM, Alothman Z, Monti SM, Supuran CT
Inhibition studies of bacterial, fungal and protozoan β-class carbonic anhydrases with Schiff bases incorporating sulfonamide moieties
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2015; 23(15): 4181-4187.

Messori L, Marzo T, Merlino A
Interactions of carboplatin and oxaliplatin with proteins: Insights from X-ray structures and mass spectrometry studies of their ribonuclease A adducts
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2015; N/D: N/D-N/D.

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.

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.

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.

Ronda L, Merlino A, Bettati S, Verde C, Balsamo A, Mazzarella L, Mozzarelli A, Vergara A
Role of tertiary structures on the Root effect in fish hemoglobins
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Sep; 1834(9): 1885-1893.

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.

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.

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.

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.

Russo Krauss I, Sica F, Mattia CA, Merlino A
Increasing the X-ray diffraction power of protein crystals by dehydration: the case of bovine serum albumin and a survey of literature data
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2012 Mar; 13(3): 3782-3800.

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.

Esposito L, Ruggiero A, Masullo M, Ruocco MR, Lamberti A, Arcari P, Zagari A, Vitagliano L
Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability
J Struct Biol (ISSN: 1047-8477), 2012 Feb; 177(2): 506-512.

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.

Merlino A, Russo Krauss I, Albino A, Pica A, Vergara A, Masullo M, De Vendittis E, Sica F
Improving Protein Crystal Quality by the Without-Oil Microbatch Method: Crystallization and Preliminary X-ray Diffraction Analysis of Glutathione Synthetase from Pseudoalteromonas haloplanktis
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2011 Sep; 12(9): 6312-6319.

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.

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, 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-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.

Merlino A, Vitagliano L, Howes BD, Verde C, Di Prisco G, Smulevich G, Sica F, Vergara A
Combined Crystallographic and Spectroscopic Analysis of Trematomus bernacchii Hemoglobin Highlights Analogies and Differences in the Peculiar Oxidation Pathway of Antarctic Fish Hemoglobins
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1117-1125.

Ruggiero A, Masullo M, Marasco D, Ruocco MR, Grimaldi P, Arcari P, Zagari A, Vitagliano L
The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2009 Dec; 77(4): 1004-1008.

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.

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.

Wekselman I, Davidovich C, Agmon I, Zimmerman E, Rozenberg H, Bashan A, Berisio R, Yonath A
Ribosome's mode of function: Myths, facts and recent results
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 122-130.

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.

Merlino A, Sica F, Mazzarella L, Zagari A, Vergara A
Correlation between Raman and X-ray crystallography data of (Pro-Pro-Gly)(10)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2008 Sep; 137(1): 24-27.

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.

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.

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.

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.

Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.