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NomeGiuseppina De Simone
AreaRicerca e Sviluppo
QualificaDirigente di Ricerca
SedeNapoli-Mezzocannone
IndirizzoVia Mezzocannone 16, 80134 Napoli - Italia
E-mailgdesimonunina.it
Telefono ufficio+39 081 2534579
Cellulare+39 349.641.67.53

Giuseppina De Simone was born in 1970 in Naples, Italy. She graduated in chemistry at the University of Naples Federico II (1993). She worked from August 1994 to January 1995 at the Drug Design Group-Sandoz Pharma AG in Basel, and from September 1995 to February 1996 at the University of Pavia. From November 1996 to January 1997 she was visiting scientist at the Max Plank Institute-Hamburg Germany. In 1998 she received her PhD at the University of Naples. Since 2010, she is Research Director at the Institute of Biostructures and Bioimaging (IBB) of the Italian National Research Council.

The research activities of Dr. Giuseppina De Simone are focused on several aspects of structure/function relationships in macromolecules with a biological interest. These studies have been dedicated to a variety of macromolecular systems with different structural complexities and have been carried out by combining X-ray crystallographic methods with several other techniques, including enzyme expression and purification, enzyme functional characterization, molecular modelling, kinetic and spectroscopic analysis. Over the last ten years, in collaboration with a framework of international institutions, her research has been mainly dedicated to the structural characterization of enzymes involved in human diseases as well as the design/characterization of small molecules able to modulate their activity. Dr. De Simone is author of about 130 scientific publications on international journals among which PNAS, Nat Cell Biol, JACS, Chem. Rev. She has been the Principal Investigator of several research grants from national (CNR; Regione Campania) and international (EU, Solvay Pharmaceuticals) institutions.

Currently Dr. De Simone is member of the editorial board of several international journals and associate editor of the Journal of Enzyme inhibition and Medicinal Chemistry.


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Bibliografia
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* Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety (25 visite)
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
Eur J Med Chem (ISSN: 1768-3254electronic, 0223-5234linking), 2018 Dec 1; 163: 443-452.
Impact Factor: 2.882
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (261 visite)
Alterio V, Esposito D, Monti SM, Supuran CT, De Simone G
J Enzyme Inhib Med Chem (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 151-157.
Impact Factor: 4.293
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding (40 visite)
De Simone G, Angeli A, Bozdag M, Supuran CT, Winum JY, Monti SM, Alterio V
Chem Commun (ISSN: 1364-548xelectronic, 1359-7345linking), 2018 Sep 11; 54(73): 10312-10315.
Impact Factor: 6.169
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX (86 visite)
Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM
Cell Mol Life Sci, 2018 Sep; 75: 3283-3296.
Impact Factor: 6.721
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Inhibition of carbonic anhydrase IX targets primary tumors, metastases, and cancer stem cells: Three for the price of one (44 visite)
Supuran CT, Alterio V, Di Fiore A, D'Ambrosio K, Carta F, Monti SM, De Simone G
Med Res Rev (ISSN: 1098-1128electronic, 0198-6325linking), 2018 Sep; 38(6): 1799-1836.
Impact Factor: 8.29
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Protective Role of Carbonic Anhydrases III and VII in Cellular Defense Mechanisms upon Redox Unbalance (45 visite)
Di Fiore A, Monti DM, Scaloni A, De Simone G, Monti SM
Oxid Med Cell Longev (ISSN: 1942-0994linking), 2018 Aug 5; 2018:2018306: 2018306-2018306.
Impact Factor: 4.936
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Targeted treatment of anaerobic cancer. Patent evaluation of US2016279084 and US2017056350 (11 visite)
De Simone G
Expert Opinion On Therapeutic Patents (ISSN: 1744-7674electronic, 1354-3776linking), 2018 Jun; N/D: 1-6.
Impact Factor: 4.626
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior (45 visite)
Buonanno M, Di Fiore A, Langella E, D’ambrosio K, Supuran CT, Monti SM, De Simone G
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2018 May; 19(6): 19-24.
Impact Factor: 3.687
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Are Carbonic Anhydrases Suitable Targets to Fight Protozoan Parasitic Diseases? (8 visite)
D'Ambrosio K, Supuran CT, De Simone G
Curr Med Chem (ISSN: 1875-533xelectronic, 0929-8673linking), 2018 Mar 26; N/D: N/D-N/D.
Impact Factor: 4.63
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Recent Advances in the Development of New Therapeutic Tools Against Major Parasitic Diseases (9 visite)
D'Ambrosio K, Supuran CT, De Simone G
Current Medicinal Chemistry, 2018; N/D: N/D-N/D.
Impact Factor: 3.853
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations (85 visite)
De Simone G, Langella E, Esposito D, Supuran CT, Monti SM, Winum JY, Alterio V
J Enzyme Inhib Med Chem (ISSN: 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 1002-1011.
Impact Factor: 4.293
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Insights into the role of reactive sulfhydryl groups of Carbonic Anhydrase III and VII during oxidative damage (118 visite)
Monti DM, De Simone G, Langella E, Supuran CT, Di Fiore A, Monti SM
J Enzyme Inhib Med Chem (ISSN: 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 5-12.
Impact Factor: 4.293
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides (97 visite)
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
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 May 25; 60(10): 4316-4326.
Impact Factor: 6.259
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Disclosing the Interaction of Carbonic Anhydrase IX with Cullin-Associated NEDD8-Dissociated Protein 1 by Molecular Modeling and Integrated Binding Measurements (86 visite)
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
Acs Chem Biol (ISSN: 1554-8937electronic, 1554-8929linking), 2017 Apr 19; N/D: N/D-N/D.
Impact Factor: 4.995
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Benzoxaborole as a new chemotype for carbonic anhydrase inhibition (101 visite)
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
Chem Commun (ISSN: 1364-548xelectronic, 1359-7345linking), 2016 Sep 29; 52(80): 11983-11986.
Impact Factor: 6.319
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1, 6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors (72 visite)
Vullo D, Supuran CT, Scozzafava A, De Simone G, Monti SM, Alterio V, Carta F
Bioorg Med Chem (ISSN: 1464-3391electronic, 0968-0896linking), 2016 Aug 15; 24(16): 3643-3648.
Impact Factor: 2.93
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The anticonvulsant sulfamide JNJ-26990990 and its S, S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies (92 visite)
Di Fiore A, De Simone G, Alterio V, Riccio V, Winum JY, Carta F, Supuran CT
Org Biomol Chem (ISSN: 1477-0520linking, 1477-0539electronic), 2016 Jun 07; 14(21): 4853-4858.
Impact Factor: 3.564
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Cloning, expression and purification of the complete domain of the eta-carbonic anhydrase from Plasmodium falciparum (96 visite)
Del Prete S, De Luca V, De Simone G, Supuran CT, Capasso C
J Enzyme Inhib Med Chem (ISSN: 1475-6374electronic, 1475-6366linking), 2016 Jun; 31(sup4): 54-59.
Impact Factor: 4.293
Dettagli    Esporta in BibTeX    Esporta in EndNote

* L-Histidinol Dehydrogenase as a New Target for Old Diseases (120 visite)
Monti SM, De Simone G, D'Ambrosio K
Curr Top Med Chem (ISSN: 1568-0266linking, 1873-4294electronic), 2016 Apr 13; 16(21): 2369-2378.
Impact Factor: 2.864
Dettagli    Esporta in BibTeX    Esporta in EndNote

* A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases (114 visite)
Langella E, D'Ambrosio K, D'Ascenzio M, Carradori S, Monti SM, Supuran CT, De Simone G
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2016 Jan 4; 22(1): 97-100.
Impact Factor: 5.317
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Editorial (Thematic Issue: Bacterial Metallo-Enzymes as Drug Targets) (63 visite)
Monti SM, D'Ambrosio K, De Simone G
Curr Top Med Chem (ISSN: 1873-4294electronic, 1568-0266linking), 2016; 16(21): 2329-2329.
Impact Factor: 2.864
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Discovery of 1, 1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors (131 visite)
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
J Med Chem (ISSN: 1520-4804electronic, 0022-2623linking, 0022-2623print), 2015 Nov 12; 58(21): 8564-8572.
Impact Factor: 5.589
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Hydroxylamine-O-sulfonamide is a versatile lead compound for the development of carbonic anhydrase inhibitors (147 visite) (PDF 134 visite)
Di Fiore A, Vergara A, Caterino M, Alterio V, Monti SM, Ombouma J, Dumy P, Vullo D, Supuran CT, Winum JY, De Simone G
Chem Commun (ISSN: 1364-548xelectronic, 1359-7345linking), 2015 Jul 2; 51(57): 11519-11522.
Impact Factor: 6.567
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense (109 visite)
De Simone G, Monti SM, Alterio V, Buonanno M, De Luca V, Rossi M, Carginale V, Supuran CT, Capasso C, Di Fiore A
Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2015 May 1; 25(9): 2002-2006.
Impact Factor: 2.486
Dettagli    Esporta in BibTeX    Esporta in EndNote

* X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor (149 visite)
Alterio V, Tanc M, Ivanova J, Zalubovskis R, Vozny I, Monti SM, Di Fiore A, De Simone G, Supuran CT
Org Biomol Chem (ISSN: 1477-0539electronic, 1477-0520linking), 2015 Apr 7; 13(13): 4064-4069.
Impact Factor: 3.559
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The zinc coordination pattern in the eta-carbonic anhydrase from Plasmodium falciparum is different from all other carbonic anhydrase genetic families (233 visite)
De Simone G, Di Fiore A, Capasso C, Supuran CT
Bioorg Med Chem Lett (ISSN: 1464-3405electronic, 0960-894xlinking), 2015 Apr 1; 25(7): 1385-1389.
Impact Factor: 2.486
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Cadmium-containing carbonic anhydrase CDCA1 in marine diatom Thalassiosira weissflogii (161 visite)
Alterio V, Langella E, De Simone G, Monti SM
Marine Drugs (ISSN: 1660-3397electronic, 1660-3397linking), 2015 Apr; 13(4): 1688-1697.
Impact Factor: 3.345
Dettagli    Esporta in BibTeX    Esporta in EndNote

* DPP-4 inhibitors: a patent review (2012 - 2014) (108 visite)
Monti SM, Supuran CT,  De Simone G
Expert Opinion On Therapeutic Patents (ISSN: 1354-3776, 1744-7674electronic, 1354-3776linking), 2015 Feb; 25(2): 209-236.
Impact Factor: 4.626
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Carbonic Anhydrase II as Target for Drug Design (105 visite)
Supuran CT, Capasso C, De Simone G
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 51-90.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Carbonic Anhydrase VII (81 visite)
Monti SM, Supuran CT, De Simone G, Di Fiore A
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 151-168.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

Carbonic Anhydrases: An Overview (90 visite)
Supuran CT, De Simone G
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 3-13.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

* CDCA1 From Thalassiosira weissflogii as Representative Member of ζ-Class CAs: General Features and Biotechnological Applications (84 visite)
Monti SM, De Simone G, Supuran CT, Alterio V
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 351-359.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Human Carbonic Anhydrases: Catalytic Properties, Structural Features, and Tissue Distribution (95 visite)
D'Ambrosio K, De Simone G, Supuran CT
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 17-30.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Out of the active site binding pocket for carbonic anhydrase inhibitors (157 visite) (PDF 134 visite)
D'Ambrosio K, Carradori S, Monti SM, Buonanno M, Secci D, Vullo D, Supuran CT, De Simone G
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jan 7; 51(2): 302-305.
Impact Factor: 6.567
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Thermostable carbonic anhydrases in biotechnological applications (139 visite)
Di Fiore A, Alterio V, Monti SM, De Simone G, D’Ambrosio K
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2015; 16(7): 15456-15480.
Impact Factor: 3.257
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Sulfolobus solfataricus thiol redox puzzle: characterization of an atypical protein disulfide oxidoreductase (164 visite)
Limauro D, De Simone G, Pirone L, Bartolucci S, D'Ambrosio K, Pedone E
Extremophiles (ISSN: 1431-0651, 1433-4909, 1433-4909electronic), 2014 Mar; 18(2): 219-228.
Impact Factor: 2.306
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Faox enzymes inhibited Maillard reaction development during storage both in protein glucose model system and low lactose UHT milk (76 visite)
Troise AD, Dathan NA, Fiore A, Roviello G, Di Fiore A, Caira S, Cuollo M, De Simone G, Fogliano V, Monti SM
Amino Acids (ISSN: 0939-4451, 1438-2199, 1438-2199electronic), 2014 Feb; 46(2): 279-288.
Impact Factor: 3.41
Dettagli    Esporta in BibTeX    Esporta in EndNote

* 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 (149 visite)
D'Ambrosio K, Lopez M, Dathan NA, Ouahrani-bettache S, Köhler S, Ascione G, Monti SM, Winum JY, De Simone G
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2014 Feb; 97(1): 114-120.
Impact Factor: 2.963
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Biochemical Characterization Of The Chloroplastic β-Carbonic Anhydrase From Flaveria Bidentis (l. ) "kuntze" (132 visite)
Dathan NA, Alterio V, Troiano E, Vullo D, Ludwig M, De Simone G, Supuran CT, Monti SM
J Enzyme Inhib Med Chem (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2014; 29(4): 500-504.
Impact Factor: 2.332
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Hydrophobic substituents of the phenylmethylsulfamide moiety can be used for the development of new selective carbonic anhydrase inhibitors (118 visite)
De Simone G, Pizika G, Monti SM, Di Fiore A, Ivanova J, Vozny I, Trapencieris P, Zalubovskis R, Supuran CT, Alterio V
Biomed Res Int (ISSN: 2314-6133, 2314-6141, 2314-6141electronic), 2014; 2014: 523210-523210.
Impact Factor: 1.579
Dettagli    Esporta in BibTeX    Esporta in EndNote

* The Structural Comparison Between Membrane-Associated Human Carbonic Anhydrases Provides Insights Into Drug Design Of Selective Inhibitors (134 visite)
Alterio V, Pan P, Parkkila S, Buonanno M, Supuran CT, Monti SM, De Simone G
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014; 101(7): 769-778.
Impact Factor: 2.385
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Thermal-stable carbonic anhydrases: a structural overview (157 visite)
Alterio V, Monti SM, De Simone G
Subcell Biochem (ISSN: 0306-0225), 2014; 75: 387-404.
Impact Factor: 33.116
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Hypoxia-targeting carbonic anhydrase IX inhibitors by a new series of nitroimidazole-sulfonamides/sulfamides/sulfamates (181 visite)
Rami M, Dubois L, Parvathaneni NK, Alterio V, van Kuijk SJ, Monti SM, Lambin P, De Simone G, Supuran CT, Winum JY
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8512-8520.
Impact Factor: 5.48
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Exploiting the hydrophobic and hydrophilic binding sites for designing carbonic anhydrase inhibitors (159 visite)
De Simone G, Alterio V, Supuran CT
Expert Opin Drug Discov (ISSN: 1746-0441), 2013 Jul; 8(7): 793-810.
Impact Factor: 3.467
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Anticancer carbonic anhydrase inhibitors: A patent review (2008-2013) (146 visite)
Monti SM, Supuran CT, De Simone G
Expert Opinion On Therapeutic Patents (ISSN: 1354-3776, 1744-7674electronic), 2013 Jun; 23(6): 737-749.
Impact Factor: 3.441
Dettagli    Esporta in BibTeX    Esporta in EndNote

* X-ray structure of the first 'extremo-alpha-carbonic anhydrase', a dimeric enzyme from the thermophilic bacterium Sulfurihydrogenibium yellowstonense YO3AOP1 (120 visite)
Di Fiore A, Capasso C, De Luca V, Monti SM, Carginale V, Supuran CT, Scozzafava A, Pedone C, Rossi M, De Simone G
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jun; 69(6): 1150-1159.
Impact Factor: 7.232
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Kinetic And Anion Inhibition Studies Of A Beta-Carbonic Anhydrase (fbica 1) From The C-4 Plant Flaveria Bidentis (143 visite)
Monti SM, De Simone G, Dathan NA, Ludwig M, Vullo D, Scozzafava A, Capasso C, Supuran CT
Bioorg Med Chem Lett (ISSN: 0960-894x), 2013 Mar 15; 23(6): 1626-1630.
Impact Factor: 2.331
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* Characterization of carbonic anhydrase ix interactome reveals proteins assisting its nuclear localization in hypoxic cells (122 visite)
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
J Proteome Res (ISSN: 1535-3893), 2013 Jan; 12(1): 282-292.
Impact Factor: 5.001
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Human Carbonic Anhydrase Vii Protects Cells From Oxidative Damage (122 visite)
Del Giudice R, Monti DM, Truppo E, Arciello A, Supuran CT, De Simone G, Monti SM
Biol Chem Biological Chemistry (ISSN: 1431-6730, 1431-1673, 1437-4315), 2013; 394(10): 1343-1348.
Impact Factor: 2.689
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Multiple binding modes of inhibitors to carbonic anhydrases: How to design specific drugs targeting 15 different isoforms? (145 visite)
Alterio V, Di Fiore A, D'Ambrosio K, Supuran CT, De Simone G
Chemical Reviews (ISSN: 0009-2665), 2012 Sep; 112(8): 4421-4468.
Impact Factor: 41.298
Dettagli    Esporta in BibTeX    Esporta in EndNote

* (In)organic anions as carbonic anhydrase inhibitors (133 visite)
De Simone G, Supuran CT
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2012 Jun; 111: 117-129.
Impact Factor: 3.197
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii (151 visite)
Alterio V, Langella E, Viparelli F, Vullo D, Ascione G, Dathan NA, Morel FM, Supuran CT, De Simone G, Monti SM
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 May; 94(5): 1232-1241.
Impact Factor: 3.142
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Carbonic anhydrase VII is S-glutathionylated without loss of catalytic activity and affinity for sulfonamide inhibitors (102 visite)
Truppo E, Supuran CT, Sandomenico A, Vullo D, Innocenti A, Di Fiore A, Alterio V, De Simone G, Monti SM
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2012 Feb 15; 22(4): 1560-1564.
Impact Factor: 2.338
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Carbonic anhydrase IX as a target for designing novel anticancer drugs (184 visite)
Monti SM, Supuran CT, De Simone G
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2012 Feb; 19(6): 821-830.
Impact Factor: 4.07
Dettagli    Esporta in BibTeX    Esporta in EndNote

* Editorial: Zinc Metallo-Enzymes As Target For Drug Design (116 visite)
De Simone G
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2012 Feb; 19(6): 820-1012.
Impact Factor: 4.07
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* Dithiocarbamates are strong inhibitors of the beta-class fungal carbonic anhydrases from Cryptococcus neoformans, Candida albicans and Candida glabrata (121 visite)
Monti SM, Maresca A, Viparelli F, Carta F, De Simone G, Muehlschlegel FA, Scozzafava A, Supuran CT
Bioorg Med Chem Lett (ISSN: 0960-894x), 2012 Jan 15; 22(2): 859-862.
Impact Factor: 2.338
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* Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups (134 visite)
D'Ambrosio K, Smaine F-Z, Carta F, De Simone G, Winum J-Y, Supuran CT
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012; 55(15): 6776-6783.
Impact Factor: 5.614
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* Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors (101 visite)
Di Fiore A, Maresca A, Supuran CT, De Simone G
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2012; 48(70): 8838-8840.
Impact Factor: 6.378
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* Design, synthesis and characterization of a peptide able to bind proteins of the KCTD family: implications for KCTD - cullin 3 recognition (121 visite)
Pirone L, Correale S, De Paola I, Zaccaro L, De Simone G, Vitagliano L, Pedone E, Di Gaetano S
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2011 May; 17(5): 373-376.
Impact Factor: 1.799
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* C68 from the Sulfolobus islandicus plasmid-virus pSSVx is a novel member of the AbrB-like transcription factor family (177 visite)
Contursi P, D'Ambrosio K, Pirone L, Pedone E, Aucelli T, She Q, De Simone G, Bartolucci S
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2011 Apr 1; 435(1): 157-166.
Impact Factor: 4.897
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* Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II (109 visite)
Di Fiore A, Maresca A, Alterio V, Supuran CT, De Simone G
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2011; 47(42): 11636-11638.
Impact Factor: 6.169
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* Multiple catalytically active thioredoxin folds: a winning strategy for many functions (175 visite)
Pedone E, Limauro D, D'Ambrosio K, De Simone G, Bartolucci S
Cell Mol Life Sci Cellular And Molecular Life Sciences (ISSN: 1420-682x), 2010 Nov; 67(22): 3797-3814.
Impact Factor: 7.047
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* Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus (113 visite)
Limauro D, D'Ambrosio K, Langella E, De Simone G, Galdi I, Pedone C, Pedone E, Bartolucci S
Biochimie (ISSN: 1638-6183, 0300-9084, 1638-6183electronic), 2010 Oct; 92(10): 1435-1444.
Impact Factor: 3.787
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* Inhibition Of The R1 Fragment Of The Cadmium-Containing Zeta-Class Carbonic Anhydrase From The Diatom Thalassiosira Weissflogii With Anions (134 visite)
Viparelli F, Monti SM, De Simone G, Innocenti A, Scozzafava A, Xu Y, Morel FMM, Supuran CT
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Sep 15; 20(16): 4745-4748.
Impact Factor: 2.661
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* The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: The carbonic anhydrase I-topiramate complex (126 visite)
Alterio V, Monti SM, Truppo E, Pedone C, Supuran CT, De Simone G
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2010 Sep 7; 8(15): 3528-3533.
Impact Factor: 3.451
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* Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide (98 visite)
Di Fiore A, Truppo E, Supuran CT, Alterio V, Dathan N, Bootorabi F, Parkkila S, Monti SM, De Simone G
Bioorg Med Chem Lett (ISSN: 0960-894x), 2010 Sep 1; 20(17): 5023-5026.
Impact Factor: 2.661
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* Crystal structure of an S-formylglutathione hydrolase from pseudoalteromonas haloplanktis TAC125 (108 visite)
Alterio V, Aurilia V, Romanelli A, Parracino A, Saviano M, D'Auria S, De Simone G
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2010 Sep; 93(8): 669-677.
Impact Factor: 2.572
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* Carbonic anhydrase inhibitors: Crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV (100 visite)
Di Fiore A, Monti SM, Innocenti A, Winum J-Y, De Simone G, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Jun 15; 20(12): 3601-3605.
Impact Factor: 2.661
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* Carbonic anhydrase IX: Biochemical and crystallographic characterization of a novel antitumor target (161 visite)
De Simone G, Supuran CT
Biochim Biophys Acta (ISSN: 1570-9639, 0006-3002, 0925-4439), 2010 Feb; 1804(2): 404-409.
Impact Factor: 2.773
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* Histone deacetylase and Cullin3-REN(KCTD11) ubiquitin ligase interplay regulates Hedgehog signalling through Gli acetylation (138 visite)
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
Nature Cell Biol Nature Cell Biology (ISSN: 1476-4679, 1465-7392), 2010 Feb; 12(2): 132-142.
Impact Factor: 19.407
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* Drug design studies of the novel antitumor targets carbonic anhydrase IX and XII (201 visite)
Guler OO, De Simone G, Supuran CT
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2010; 17(15): 1516-1526.
Impact Factor: 4.63
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* Recent advances in structural studies of the carbonic anhydrase family: The crystal structure of human CA IX and CA XIII (120 visite)
Supuran CT, Di Fiore A, Alterio V, Monti SM, De Simone G
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2010; 16(29): 3246-3254.
Impact Factor: 4.774
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* 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 (84 visite)
Innocenti A, Pastorekova S, Pastorek J, Scozzafava A, De Simone G, Supuran CT
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2009 Oct 15; 19(20): 5825-5828.
Impact Factor: 2.65
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* 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 (165 visite)
Vitale RM, Alterio V, Innocenti A, Winum JY, Monti SM, De Simone G, Supuran CT
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2009 Oct 8; 52(19): 5990-5998.
Impact Factor: 4.802
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* Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX (202 visite)
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
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2009 Sep 22; 106(38): 16233-16238.
Impact Factor: 9.432
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* Insights into the catalytic mechanism of the Bcp family: functional and structural analysis of Bcp1 from Sulfolobus solfataricus (152 visite)
D'Ambrosio K, Limauro D, Pedone E, Galdi I, Pedone C, Bartolucci S, De Simone G
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Sep; 76(4): 995-1006.
Impact Factor: 3.085
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* Which Carbonic Anhydrases are Targeted by the Antiepileptic Sulfonamides and Sulfamates? (113 visite)
De Simone G, Scozzafava A, Supuran CT
Chem Biol Drug Des Chemical Biology And Drug Design (ISSN: 1747-0277, 1747-0285), 2009 Sep; 74(3): 317-321.
Impact Factor: 2.473
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* Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins (188 visite)
Di Fiore A, Fiorentino G, Vitale RM, Ronca R, Amodeo P, Pedone C, Bartolucci S, De Simone G
J Mol Biol (ISSN: 1089-8638, 0022-2836, 1089-8638electronic), 2009 May 8; 388(3): 559-569.
Impact Factor: 3.871
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* Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide (105 visite)
Di Fiore A, Monti SM, Hilvo M, Parkkila S, Romano V, Scaloni A, Pedone C, Scozzafava A, Supuran CT, De Simone G
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Jan; 74(1): 164-175.
Impact Factor: 3.085
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* Advances in the Inhibitory and Structural Investigations on Carbonic Anhydrase Isozymes XIII and XV (110 visite)
Hilvo M, De Simone G, Supuran CT, Parkkila S
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; N/D: 273-283.
Impact Factor: 1.156
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* Drug Design of Antiobesity Carbonic Anhydrase Inhibitors (126 visite)
De Simone G, Supuran CT
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; 66(DECEMBERSPEC.I): 241-254.
Impact Factor: 1.156
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* X-Ray Crystallography of Carbonic Anhydrase Inhibitors and Its Importance in Drug Design (124 visite)
Alterio V, Di Fiore A, D'Ambrosio K, Supuran CT, De Simone G
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; N/D: 73-138.
Impact Factor: 1.156
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* Biochemical characterization of CA IX, one of the most active carbonic anhydrase isozymes (139 visite)
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
J Biol Chem Journal Of Biological Chemistry (ISSN: 0021-9258, 1083-351x), 2008 Oct 10; 283(41): 27799-27809.
Impact Factor: 5.52
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* Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography (123 visite)
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
Mol Cancer Ther Molecular Cancer Therapeutics (ISSN: 1535-7163, 1538-8514electronic), 2008 Sep; 7(8): 2435-2444.
Impact Factor: 5.003
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* Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii (145 visite)
D'Ambrosio K, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A, De Simone G, Supuran CT
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2008 Jun 12; 51(11): 3230-3237.
Impact Factor: 4.898
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* Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity (132 visite)
Supuran CT, Di Fiore A, De Simone G
Expert Opin Emerg Drugsexpert Opinion On Emerging Drugs (ISSN: 1472-8214), 2008 Jun; 13(2): 383-392.
Impact Factor: 3.08
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* Functional and structural features of the oxyanion hole in a thermophilic esterase from Alicyclobacillus acidocaldarius (103 visite)
Mandrich L, Menchise V, Alterio V, De Simone G, Pedone C, Rossi M, Manco G
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2008 Jun; 71(4): 1721-1731.
Impact Factor: 3.419
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* 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 (108 visite)
Di Fiore A, Pedone C, Antel J, Waldeck H, Witte A, Wurl M, Scozzafava A, Supuran CT, De Simone G
Bioorg Med Chem Lett (ISSN: 1464-3405, 0960-894x, 1464-3405electronic), 2008 Apr 15; 18(8): 2669-2674.
Impact Factor: 2.531
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* 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 (82 visite)
Innocenti A, Scozzafava A, Parkkila S, Puccetti L, De Simone G, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2008 Apr 1; 18(7): 2267-2271.
Impact Factor: 2.531
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* Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents (114 visite)
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
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2008 Mar 13; 51(5): 1295-1308.
Impact Factor: 4.898
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* Are carbonic anhydrase inhibitors suitable for obtaining antiobesity drugs? (122 visite)
De Simone G, Di Fiore A, Supuran CT
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2008 Mar; 14(7): 655-660.
Impact Factor: 4.399
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* Carbonic anhydrase inhibitors: Binding of indanesulfonamides to the human isoform II (155 visite)
D'Ambrosio K, Masereel B, Thiry A, Scozzafava A, Supuran CT, De Simone G
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2008 Mar; 3(3): 473-477.
Impact Factor: 3.15
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Carbonic anhydrases--an overview (114 visite)
Supuran CT, De Simone G
Curr Pharm Des, 2008; 14(7): 603-614.
Impact Factor: 0
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* Recent advances in research on the most novel carbonic anhydrases, CA XIII and XV (113 visite)
Hilvo M, Innocenti A, Monti SM, De Simone G, Supuran CT, Parkkila S
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2008; 14(7): 672-678.
Impact Factor: 4.399
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* Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1, 3-disulfonamides-Solution and crystallographic studies (117 visite)
Alterio V, De Simone G, Monti SM, Scozzafava A, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Sep 1; 17(15): 4201-4207.
Impact Factor: 2.604
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* Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA (121 visite)
Vitale RM, Pedone C, Amodeo P, Antel J, Wurl M, Scozzafava A, Supuran CT, De Simone G
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2007 Jun 15; 15(12): 4152-4158.
Impact Factor: 2.662
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* 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 (126 visite)
Di Fiore A, Scozzafava A, Winum JY, Montero JL, Pedone C, Supuran CT, De Simone G
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Mar 15; 17(6): 1726-1731.
Impact Factor: 2.604
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* Antiobesity carbonic anhydrase inhibitors (158 visite)
De Simone G, Supuran CT
Curr Top Med Chem (ISSN: 1568-0266, 1568-0266linking, 1873-4294electronic), 2007; 7(9): 879-884.
Impact Factor: 4.325
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* 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity (307 visite)
Leese MP, Leblond B, Smith A, Newman SP, Di Fiore A, De Simone G, Supuran CT, Purohit A, Reed MJ, Potter BVL
J Med Chem (ISSN: 0022-2623print, 0022-2623linking, 1520-4804), 2006 Dec 28; 49(26): 7683-7696.
Impact Factor: 5.115
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* 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 (109 visite)
Menchise V, De Simone G, Di Fiore A, Scozzafava A, Supuran CT
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Dec 15; 16(24): 6204-6208.
Impact Factor: 2.538
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* A novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: Structure, function and electrostatics (104 visite)
D'Ambrosio K, Pedone E, Langella E, De Simone G, Rossi M, Pedone C, Bartolucci S
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2006 Sep 29; 362(4): 743-752.
Impact Factor: 4.89
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* Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX (142 visite)
De Simone G, Vitale RM, Di Fiore A, Pedone C, Scozzafava A, Montero JL, Winum JY, Supuran CT
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Sep 7; 49(18): 5544-5551.
Impact Factor: 5.115
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* Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX (120 visite)
Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jun 28; 128(25): 8329-8335.
Impact Factor: 7.696
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* A new spot test for sulfhydryl-containing compounds (153 visite)
Cappiello M, Alterio  V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U
Anal Biochem, 2006 Mar 14; 79(1-2): 610-611.
Impact Factor: 2.305
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* Metal ion substitution in the catalytic site greatly affects the binding of sulfhydryl-containing compounds to leucyl aminopeptidase (160 visite)
Cappiello M, Alterio V, Amodeo P, Del Corso A, Scaloni A, Pedone C, Moschini R, De Donatis GM, De Simone G, Mura U
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2006 Mar 14; 45(10): 3226-3234.
Impact Factor: 3.633
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* Insights on a new PDI-like family: Structural and functional analysis of a protein disulfide oxidoreductase from the bacterium Aquifex aeolicus (160 visite)
Pedone E, D'Ambrosio K, De Simone G, Rossi M, Pedone C, Bartolucci S
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2006 Feb 10; 356(1): 155-164.
Impact Factor: 4.89
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* 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 (115 visite)
Di Fiore A, Pedone C, D'Ambrosio K, Scozzafava A, De Simone G, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Jan 15; 16(2): 437-442.
Impact Factor: 2.538
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* 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 (141 visite)
Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2005 Sep 8; 48(18): 5721-5727.
Impact Factor: 4.926
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* Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies (117 visite)
De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 May 2; 15(9): 2315-2320.
Impact Factor: 2.478
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* 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 (146 visite)
Di Fiore A, De Simone G, Menchise V, Pedone C, Casini A, Scozzafava A, Supuran CT
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 Apr 1; 15(7): 1937-1942.
Impact Factor: 2.478
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* Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aeropyrum pernix K1 (100 visite)
D'Ambrosio K, De Simone G, Pedone E, Rossi M, Bartolucci S, Pedone C
Nucleosides Nucleotides Nucleic Acids (ISSN: 1744-3091, 1744-4309), 2005 Mar 1; 61(3): 335-336.
Impact Factor: 0.568
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* Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aquifex aeolicus (96 visite)
D'Ambrosio K, De Simone G, Pedone E, Rossi M, Bartolucci S, Pedone C
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2004 Nov; 60(11): 2076-2077.
Impact Factor: 1.693
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* The crystal structure of an EST2 mutant unveils structural insights on the H group of the carboxylesterase/lipase family (121 visite)
De Simone G, Menchise V, Alterio V, Mandrich L, Rossi M, Manco G, Pedone C
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2004 Oct 8; 343(1): 137-146.
Impact Factor: 5.542
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* A substrate-induced switch in the reaction mechanism of a thermophilic esterase - Kinetic evidences and structural basis (111 visite)
De Simone G, Mandrich L, Menchise V, Giordano V, Febbraio F, Rossi M, Pedone C, Manco G
J Biol Chem Journal Of Biological Chemistry (ISSN: 0021-9258, 1083-351x), 2004 Feb 20; 279(8): 6815-6823.
Impact Factor: 6.355
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* Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex (142 visite)
Menchise V, De Simone G, Tedeschi T, Corradini R, Sforza S, Marchelli R, Capasso D, Saviano M, Pedone C
Proc Natl Acad Sci U S A (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2003 Oct 14; 100(21): 12021-12026.
Impact Factor: 10.272
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* Crystallization and preliminary X-ray diffraction studies of Aes acetyl-esterase from Escherichia coli (107 visite)
Sorrentino N, De Simone G, Menchise V, Mandrich L, Rossi M, Manco G, Pedone C
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2003 Oct; 59(10): 1846-1848.
Impact Factor: 2.208
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* Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: Molecular and X-ray crystallographic studies (112 visite)
De Simone G, Menchise V, Omaggio S, Pedone C, Scozzafava A, Supuran CT
Biochemistry (ISSN: 0006-2960, 1520-4995, 1520-4995electronic), 2003 Sep 5; 42(30): 9013-9021.
Impact Factor: 3.922
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* An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius (108 visite)
Bartolucci S, De Simone G, Galdiero S, Improta R, Menchise V, Pedone C, Pedone E, Saviano M
J Bacteriol Journal Of Bacteriology (ISSN: 0021-9193, 1098-5530), 2003 Jul; 185(14): 4285-4289.
Impact Factor: 4.175
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* Crystallization and preliminary X-ray diffraction studies of a D-lysine-based chiral PNA-DNA duplex (100 visite)
Menchise V, De Simone G, Corradini R, Sforza S, Sorrentino N, Romanelli A, Saviano M, Pedone C
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2002 Mar; 58(3): 553-555.
Impact Factor: 1.76
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* The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus (109 visite)
De Simone G, Menchise V, Manco G, Mandrich L, Sorrentino N, Lang D, Rossi M, Pedone C
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2001 Nov 30; 314(3): 507-518.
Impact Factor: 5.826
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A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase (111 visite)
De Simone G, Galdiero S, Manco G, Lang D, Rossi M, Pedone C
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2000 Nov 10; 303(5): 761-771.
Impact Factor: 5.388
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Conformational behavior of C(α, α)-diphenyl glycine: Extended conformation in tripeptides containing consecutive Dφg residues (129 visite)
Pavone V, Lombardi A, Saviano M, De Simone G, Nastri F, Maglio O, Omote Y, Yamanaka Y, Yamada T
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 161-168.
Impact Factor: 2.405
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The crystal structure of a Dcp-containing peptide (127 visite)
De Simone G, Lombardi A, Galdiero S, Nastri F, Di Costanzo L, Gohda S, Sano A, Yamada T, Pavone V
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 182-188.
Impact Factor: 2.405
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The crystal structure of Afc-containing peptide (115 visite)
Lombardi A, De Simone G, Galdiero S, Nastri F, Di Costanzo L, Makihiara K, Yamada T, Pavone V
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000 Feb; 53(2): 150-160.
Impact Factor: 2.405
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Crystallization and preliminary X-ray diffraction studies of the carboxylesterase EST2 from Alicyclobacillus acidocaldarius (89 visite)
De Simone G, Manco G, Galdiero S, Lombardi A, Rossi M, Pavone V
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 1999 Jul; 55(7): 1348-1349.
Impact Factor: 2.935
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The crystal structure of alpha-thrombin-hinunorm IV complex reveals a novel specificity site recognition mode (126 visite)
Lombardi A, De Simone G, Nastri F, Galdiero S, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1999 Jan; 8(1): N/D-N/D.
Impact Factor: 4.457
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The Crystal Structure Of Alpha-Thrombin-Hirunorm Iv Complex Reveals A Novel Specificity Site Recognition Mode (119 visite)
Lombardi A, De Simone G, Nastri F, Galdiero S, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1999 Jan; 8(1): 91-95.
Impact Factor: 4.457
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From natural to synthetic multisite thrombin inhibitors (99 visite)
Lombardi A, De Simone G, Galdiero S, Staiano N, Nastri F, Pavone V
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1999; 51(1): 19-39.
Impact Factor: 2.331
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Multiple binding mode of reversible synthetic thrombin inhibitors. A comparative structural analysis (141 visite)
Pavone V, De Simone G, Nastri F, Galdiero S, Staiano N, Lombardi A, Pedone C
Biol Chem Biological Chemistry (ISSN: 1431-6730, 1437-4315), 1998 Sep; 379(8-9): 987-1006.
Impact Factor: 2.636
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Hirunorms Are True Hirudin Mimetics. The Crystal Structure Of Human Alpha-Thrombin-Hirunorm V Complex (112 visite)
De Simone G, Lombardi A, Galdiero S, Nastri F, Della Morte R, Staiano N, Pedone C, Bolognesi M, Pavone V
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Feb; 7(2): 243-253.
Impact Factor: 4.44
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Functionalized cyclodextrins: Synthesis and structural characterization of 6-deoxy-6-{4-[N-tert-butoxycarbonyl-2-aminoethyl]-imidazolyl}-cyclomaltoheptaose (113 visite)
Di Blasio B, Galdiero S, Saviano M, De Simone G, Benedetti E, Pedone C, Gibbons WA, Deschenaux R, Rizzarelli E, Vecchio G
Supramol Chem (ISSN: 1061-0278), 1996; 7(1): 47-54.
Impact Factor: 3.19
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CONFORMATIONAL STUDIES OF HETEROCHIRAL PEPTIDES WITH DIASTEREOISOMERIC RESIDUES - CRYSTAL AND MOLECULAR-STRUCTURES OF LINEAR DIPEPTIDES DERIVED FROM LEUCINE, ISOLEUCINE, AND ALLO-ISOLEUCINE (146 visite)
Di Blasio B, Saviano M, Del Duca V, De Simone G, Rossi F, Pedone C, Benedetti E, Lorenzi GP
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 1995 Oct; 36(4): 401-408.
Impact Factor: 2.425
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Responses of serum insulin and blood pressure to cold and handgrip in obese patients (80 visite)
Ferrara LA, Mancini M, De Simone GD, Turco S, Iovine C, Marotta T, Mainenti G, Mancini M
Int J Cardiol (ISSN: 0167-5273, 1874-1754electronic), 1991 Sep; 32(3): 353-359.
Impact Factor: 0.61
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133 Records (131 escludendo Abstract e Conferenze).
Impact factor totale: 575.922 (566.35 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 565.964 (556.858 escludendo Abstract e Conferenze).








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