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Giuseppina De simone

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TOP 3
Simona Maria Monti; Andrea Scozzafava; Daniela Vullo; Clemente Capasso; Nina Dathan; Giuseppina De simone; Martha Ludwig; Claudiu T Supuran
Kinetic and anion inhibition studies of a β-carbonic anhydrase (FbiCA 1) from the C4 plant Flaveria bidentis.
Pasquale Buanne; Lucia Csaderova; Giuseppina De simone; Corrado Garbi; Donatella Montanaro; Francesca Monteleone; Simona Maria Monti; Silvia Pastorekova; Giovanni Renzone; annamaria sandomenico; Andrea Scaloni; Claudiu T Supuran; Giancarlo Troncone; Monica Vitale; Marina Accardo; Miriam Zatovicova; Nicola Zambrano
Characterization of carbonic anhydrase IX interactome reveals proteins assisting its nuclear localization in hypoxic cells.
Giuseppina De simone; Claudiu T Supuran
(In)organic anions as carbonic anhydrase inhibitors.

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All Publications

2013: Simona Maria Monti; Andrea Scozzafava; Daniela Vullo; Clemente Capasso; Nina Dathan; Giuseppina De simone; Martha Ludwig; Claudiu T Supuran
Kinetic and anion inhibition studies of a β-carbonic anhydrase (FbiCA 1) from the C4 plant Flaveria bidentis.
Bioorganic & medicinal chemistry letters 2013;23(6):1626-30.
2013: Pasquale Buanne; Lucia Csaderova; Giuseppina De simone; Corrado Garbi; Donatella Montanaro; Francesca Monteleone; Simona Maria Monti; Silvia Pastorekova; Giovanni Renzone; annamaria sandomenico; Andrea Scaloni; Claudiu T Supuran; Giancarlo Troncone; Monica Vitale; Marina Accardo; Miriam Zatovicova; Nicola Zambrano
Characterization of carbonic anhydrase IX interactome reveals proteins assisting its nuclear localization in hypoxic cells.
Journal of proteome research 2013;12(1):282-92.
2012: Giuseppina De simone; Claudiu T Supuran
(In)organic anions as carbonic anhydrase inhibitors.
Journal of inorganic biochemistry 2012;111():117-29.
2012: vincenzo alterio; Giuseppina Ascione; Nina Dathan; Giuseppina De simone; Emma Langella; François M M Morel; Claudiu T Supuran; Francesca Viparelli; Daniela Vullo; Simona Maria Monti
Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii.
Biochimie 2012;94(5):1232-41.
2012: Emanuela Truppo; Daniela Vullo; annamaria sandomenico; Claudiu T Supuran; vincenzo alterio; Giuseppina De simone; Anna Di Fiore; Alessio Innocenti; Simona M Monti
Carbonic anhydrase VII is S-glutathionylated without loss of catalytic activity and affinity for sulfonamide inhibitors.
Bioorganic & medicinal chemistry letters 2012;22(4):1560-4.
2011: Anna Di Fiore; Alfonso Maresca; Claudiu T Supuran; vincenzo alterio; Giuseppina De simone
Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II.
Chemical communications (Cambridge, England) 2011;47(42):11636-8.
2010: Emilia Pedone; Danila Limauro; Katia D'Ambrosio; Giuseppina De simone; Simonetta Bartolucci
Multiple catalytically active thioredoxin folds: a winning strategy for many functions.
Cellular and molecular life sciences : CMLS 2010;67(22):3797-814.
2010: Danila Limauro; Katia D'Ambrosio; Emma Langella; Giuseppina De simone; Ilaria Galdi; Carlo Pedone; Emilia Pedone; Simonetta Bartolucci
Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus.
Biochimie 2010;92(10):1435-44.
2010: Anna Di Fiore; Emanuela Truppo; Claudiu T Supuran; vincenzo alterio; Nina Dathan; Fatemeh Bootorabi; Seppo Parkkila; Simona Maria Monti; Giuseppina De simone
Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide.
Bioorganic & medicinal chemistry letters 2010;20(17):5023-6.
2010: Francesca Viparelli; Simona Maria Monti; Giuseppina De simone; Alessio Innocenti; Andrea Scozzafava; Yan Xu; François M M Morel; Claudiu T Supuran
Inhibition of the R1 fragment of the cadmium-containing zeta-class carbonic anhydrase from the diatom Thalassiosira weissflogii with anions.
Bioorganic & medicinal chemistry letters 2010;20(16):4745-8.
2010: vincenzo alterio; Simona Maria Monti; Emanuela Truppo; Carlo Pedone; Claudiu T Supuran; Giuseppina De simone
The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: the carbonic anhydrase I-topiramate complex.
Organic & biomolecular chemistry 2010;8(15):3528-33.
2010: vincenzo alterio; Vincenzo Aurilia; Alessandra Romanelli; Antonietta Parracino; Michele Saviano; Sabato D'Auria; Giuseppina De simone
Crystal structure of an S-formylglutathione hydrolase from Pseudoalteromonas haloplanktis TAC125.
Biopolymers 2010;93(8):669-77.
2010: Anna Di Fiore; Simona Maria Monti; Alessio Innocenti; Jean-Yves Winum; Giuseppina De simone; Claudiu T Supuran
Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV.
Bioorganic & medicinal chemistry letters 2010;20(12):3601-5.
2009: vincenzo alterio; Mika Hilvo; Anna Di Fiore; Claudiu T Supuran; Peiwen Pan; Seppo Parkkila; Andrea Scaloni; Jaromir Pastorek; Silvia Pastorekova; Carlo Pedone; Andrea Scozzafava; Simona Maria Monti; Giuseppina De simone
Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX.
Proceedings of the National Academy of Sciences of the United States of America 2009;106(38):16233-8.
2009: Katia D'Ambrosio; Danila Limauro; Emilia Pedone; Ilaria Galdi; Carlo Pedone; Simonetta Bartolucci; Giuseppina De simone
Insights into the catalytic mechanism of the Bcp family: functional and structural analysis of Bcp1 from Sulfolobus solfataricus.
Proteins 2009;76(4):995-1006.
2009: Anna Di Fiore; Gabriella Fiorentino; Rosa Maria Vitale; Raffaele Ronca; Pietro Amodeo; Carlo Pedone; Simonetta Bartolucci; Giuseppina De simone
Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins.
Journal of molecular biology 2009;388(3):559-69.
2008: L W Lawrence Woo; Delphine S Fischer; christopher sharland; Melanie N Trusselle; Paul A Foster; Surinder K Chander; Anna Di Fiore; Claudiu T Supuran; Giuseppina De simone; Atul Purohit; Michael J Reed; Barry V L Potter
Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography.
Molecular cancer therapeutics 2008;7(8):2435-44.
2008: Katia D'Ambrosio; Rosa-Maria Vitale; Jean-Michel Dogné; Bernard Masereel; Alessio Innocenti; Andrea Scozzafava; Giuseppina De simone; Claudiu T Supuran
Carbonic anhydrase inhibitors: bioreductive nitro-containing sulfonamides with selectivity for targeting the tumor associated isoforms IX and XII.
Journal of medicinal chemistry 2008;51(11):3230-7.
2008: Luigi Mandrich; Valeria Menchise; vincenzo alterio; Giuseppina De simone; Carlo Pedone; Mosè Rossi; Giuseppe Manco
Functional and structural features of the oxyanion hole in a thermophilic esterase from Alicyclobacillus acidocaldarius.
Proteins 2008;71(4):1721-31.
2008: Anna Di Fiore; Carlo Pedone; Jochen Antel; Harald Waldeck; Andreas Witte; Michael Wurl; Andrea Scozzafava; Claudiu T Supuran; Giuseppina De simone
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.
Bioorganic & medicinal chemistry letters 2008;18(8):2669-74.
2008: Mathew P Leese; Fabrice L Jourdan; Keira Gaukroger; Mary F Mahon; Simon P Newman; Paul A Foster; Chloe Stengel; Sandra Regis-Lydi; Eric Ferrandis; Anna Di Fiore; Giuseppina De simone; Claudiu T Supuran; Atul Purohit; Michael J Reed; Barry V L Potter
Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents.
Journal of medicinal chemistry 2008;51(5):1295-308.
2008: Giuseppina De simone; Anna Di Fiore; Claudiu T Supuran
Are carbonic anhydrase inhibitors suitable for obtaining antiobesity drugs?
Current pharmaceutical design 2008;14(7):655-60.
2007: vincenzo alterio; Giuseppina De simone; Simona Maria Monti; Andrea Scozzafava; Claudiu T Supuran
Carbonic anhydrase inhibitors: inhibition of human, bacterial, and archaeal isozymes with benzene-1,3-disulfonamides--solution and crystallographic studies.
Bioorganic & medicinal chemistry letters 2007;17(15):4201-7.
2007: Rosa Maria Vitale; Carlo Pedone; Pietro Amodeo; Jochen Antel; Michael Wurl; Andrea Scozzafava; Claudiu T Supuran; Giuseppina De simone
Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA.
Bioorganic & medicinal chemistry 2007;15(12):4152-8.
2007: Anna Di Fiore; Andrea Scozzafava; Jean-Yves Winum; Jean-Louis Montero; Carlo Pedone; Claudiu T Supuran; Giuseppina De simone
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.
Bioorganic & medicinal chemistry letters 2007;17(6):1726-31.
2007: Giuseppina De simone; Claudiu T Supuran
Antiobesity carbonic anhydrase inhibitors.
Current topics in medicinal chemistry 2007;7(9):879-84.
2006: Mathew P Leese; Bertrand Leblond; Andrew Smith; Simon P Newman; Anna Di Fiore; Giuseppina De simone; Claudiu T Supuran; Atul Purohit; Michael J Reed; Barry V L Potter
2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.
Journal of medicinal chemistry 2006;49(26):7683-96.
2006: Valeria Menchise; Giuseppina De simone; Anna Di Fiore; Andrea Scozzafava; Claudiu T Supuran
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-sulfonamide to human isoform II.
Bioorganic & medicinal chemistry letters 2006;16(24):6204-8.
2006: Katia D'Ambrosio; Emilia Pedone; Emma Langella; Giuseppina De simone; Mosè Rossi; Carlo Pedone; Simonetta Bartolucci
A novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: structure, function and electrostatics.
Journal of molecular biology 2006;362(4):743-52.
2006: Giuseppina De simone; Rosa Maria Vitale; Anna Di Fiore; Carlo Pedone; Andrea Scozzafava; Jean-Louis Montero; Jean-Yves Winum; Claudiu T Supuran
Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX.
Journal of medicinal chemistry 2006;49(18):5544-51.
2006: vincenzo alterio; Rosa Maria Vitale; Simona Maria Monti; Carlo Pedone; Andrea Scozzafava; Alessandro Cecchi; Giuseppina De simone; Claudiu T Supuran
Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX.
Journal of the American Chemical Society 2006;128(25):8329-35.
2006: Mario Cappiello; vincenzo alterio; Pietro Amodeo; Antonella Del Corso; Andrea Scaloni; Carlo Pedone; Roberta Moschini; Gian Marco De Donatis; Giuseppina De simone; Umberto Mura
Metal ion substitution in the catalytic site greatly affects the binding of sulfhydryl-containing compounds to leucyl aminopeptidase.
Biochemistry 2006;45(10):3226-34.
2006: Emilia Pedone; Katia D'Ambrosio; Giuseppina De simone; Mosè Rossi; Carlo Pedone; Simonetta Bartolucci
Insights on a new PDI-like family: structural and functional analysis of a protein disulfide oxidoreductase from the bacterium Aquifex aeolicus.
Journal of molecular biology 2006;356(1):155-64.
2006: Anna Di Fiore; Carlo Pedone; Katia D'Ambrosio; Andrea Scozzafava; Giuseppina De simone; Claudiu T Supuran
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.
Bioorganic & medicinal chemistry letters 2006;16(2):437-42.
2005: Valeria Menchise; Giuseppina De simone; vincenzo alterio; Anna Di Fiore; Carlo Pedone; Andrea Scozzafava; Claudiu T Supuran
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.
Journal of medicinal chemistry 2005;48(18):5721-7.
2005: Giuseppina De simone; Anna Di Fiore; Valeria Menchise; Carlo Pedone; Jochen Antel; Angela Casini; Andrea Scozzafava; Michael Wurl; Claudiu T Supuran
Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies.
Bioorganic & medicinal chemistry letters 2005;15(9):2315-20.
2005: Anna Di Fiore; Giuseppina De simone; Valeria Menchise; Carlo Pedone; Angela Casini; Andrea Scozzafava; Claudiu T Supuran
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.
Bioorganic & medicinal chemistry letters 2005;15(7):1937-42.
2005: Katia D'Ambrosio; Giuseppina De simone; Emilia Pedone; Mosè Rossi; Simonetta Bartolucci; Carlo Pedone
Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aeropyrum pernix K1.
Acta crystallographica. Section F, Structural biology and crystallization communications 2005;61(Pt 3):335-6.
2004: Katia D'Ambrosio; Giuseppina De simone; Emilia Pedone; Mosè Rossi; Simonetta Bartolucci; Carlo Pedone
Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aquifex aeolicus.
Acta crystallographica. Section D, Biological crystallography 2004;60(Pt 11):2076-7.
2004: Giuseppina De simone; Valeria Menchise; vincenzo alterio; Luigi Mandrich; Mosè Rossi; Giuseppe Manco; Carlo Pedone
The crystal structure of an EST2 mutant unveils structural insights on the H group of the carboxylesterase/lipase family.
Journal of molecular biology 2004;343(1):137-46.
2004: Giuseppina De simone; Luigi Mandrich; Valeria Menchise; Valeria Giordano; Ferdinando Febbraio; Mosè Rossi; Carlo Pedone; Giuseppe Manco
A substrate-induced switch in the reaction mechanism of a thermophilic esterase: kinetic evidences and structural basis.
The Journal of biological chemistry 2004;279(8):6815-23.
2003: Valeria Menchise; Giuseppina De simone; Tullia Tedeschi; Roberto Corradini; Stefano Sforza; Rosangela Marchelli; Domenica Capasso; Michele Saviano; Carlo Pedone
Insights into peptide nucleic acid (PNA) structural features: the crystal structure of a D-lysine-based chiral PNA-DNA duplex.
Proceedings of the National Academy of Sciences of the United States of America 2003;100(21):12021-6.
2003: Nicola Sorrentino; Giuseppina De simone; Valeria Menchise; Luigi Mandrich; Mosè Rossi; Giuseppe Manco; Carlo Pedone
Crystallization and preliminary X-ray diffraction studies of Aes acetyl-esterase from Escherichia coli.
Acta crystallographica. Section D, Biological crystallography 2003;59(Pt 10):1846-8.
2003: Giuseppina De simone; Valeria Menchise; Salvatore Omaggio; Carlo Pedone; Andrea Scozzafava; Claudiu T Supuran
Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.
Biochemistry 2003;42(30):9013-21.
2003: Simonetta Bartolucci; Giuseppina De simone; stefania galdiero; Roberto Improta; Valeria Menchise; Carlo Pedone; Emilia Pedone; Michele Saviano
An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius.
Journal of bacteriology 2003;185(14):4285-9.
2002: Valeria Menchise; Giuseppina De simone; Roberto Corradini; Stefano Sforza; Nicola Sorrentino; Alessandra Romanelli; Michele Saviano; Carlo Pedone
Crystallization and preliminary X-ray diffraction studies of a D-lysine-based chiral PNA-DNA duplex.
Acta crystallographica. Section D, Biological crystallography 2002;58(Pt 3):553-5.
2001: Giuseppina De simone; Valeria Menchise; Giuseppe Manco; Luigi Mandrich; Nicola Sorrentino; D Lang; Mosè Rossi; Carlo Pedone
The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus.
Journal of molecular biology 2001;314(3):507-18.
2000: Giuseppina De simone; stefania galdiero; Giuseppe Manco; D Lang; Mosè Rossi; Carlo Pedone
A snapshot of a transition state analogue of a novel thermophilic esterase belonging to the subfamily of mammalian hormone-sensitive lipase.
Journal of molecular biology 2000;303(5):761-71.
2000: Giuseppina De simone; Angela Lombardi; stefania galdiero; Flavia Nastri; Luigi Di Costanzo; S Gohda; A Sano; T Yamada; Vincenzo Pavone
The crystal structure of a Dcp-containing peptide.
Biopolymers 2000;53(2):182-8.
2000: Vincenzo Pavone; Angela Lombardi; Michele Saviano; Giuseppina De simone; Flavia Nastri; Ornella Maglio; Y Omote; Y Yamanaka; T Yamada
Conformational behavior of C alpha,alpha-diphenyl glycine: extended conformation in tripeptides containing consecutive D phi G residues.
Biopolymers 2000;53(2):161-8.
2000: Angela Lombardi; Giuseppina De simone; stefania galdiero; Flavia Nastri; Luigi Di Costanzo; K Makihira; T Yamada; Vincenzo Pavone
The crystal structure of Afc-containing peptides.
Biopolymers 2000;53(2):150-60.
1999: Giuseppina De simone; Giuseppe Manco; stefania galdiero; Angela Lombardi; Mosè Rossi; Vincenzo Pavone
Crystallization and preliminary X-ray diffraction studies of the carboxylesterase EST2 from Alicyclobacillus acidocaldarius.
Acta crystallographica. Section D, Biological crystallography 1999;55(Pt 7):1348-9.
1999: A Scaloni; Pasquale Ferranti; Giuseppina De simone; Gianfranco Mamone; Nicola Sannolo; Antonio Malorni
Probing the reactivity of nucleophile residues in human 2,3-diphosphoglycerate/deoxy-hemoglobin complex by aspecific chemical modifications.
FEBS letters 1999;452(3):190-4.
1999: Angela Lombardi; Giuseppina De simone; stefania galdiero; Norma Staiano; Flavia Nastri; Vincenzo Pavone
From natural to synthetic multisite thrombin inhibitors.
Biopolymers 1999;51(1):19-39.
1999: Angela Lombardi; Giuseppina De simone; Flavia Nastri; stefania galdiero; Rossella Della Morte; Norma Staiano; Carlo Pedone; M Bolognesi; Vincenzo Pavone
The crystal structure of alpha-thrombin-hirunorm IV complex reveals a novel specificity site recognition mode.
Protein science : a publication of the Protein Society 1999;8(1):91-5.
1998: Vincenzo Pavone; Giuseppina De simone; Flavia Nastri; stefania galdiero; Norma Staiano; Angela Lombardi; Carlo Pedone
Multiple binding mode of reversible synthetic thrombin inhibitors. A comparative structural analysis.
Biological chemistry 1998;379(8-9):987-1006.
1998: Giuseppina De simone; Angela Lombardi; stefania galdiero; Flavia Nastri; Rossella Della Morte; Norma Staiano; Carlo Pedone; M Bolognesi; Vincenzo Pavone
Hirunorms are true hirudin mimetics. The crystal structure of human alpha-thrombin-hirunorm V complex.
Protein science : a publication of the Protein Society 1998;7(2):243-53.
1997: Giuseppina De simone; Gianni Balliano; P Milla; C Gallina; C Giordano; C Tarricone; M Rizzi; M Bolognesi; Paolo Ascenzi
Human alpha-thrombin inhibition by the highly selective compounds N-ethoxycarbonyl-D-Phe-Pro-alpha-azaLys p-nitrophenyl ester and N-carbobenzoxy-Pro-alpha-azaLys p-nitrophenyl ester: a kinetic, thermodynamic and X-ray crystallographic study.
Journal of molecular biology 1997;269(4):558-69.
1995: Benedetto Di Blasio; Michele Saviano; V Del Duca; Giuseppina De simone; F Rossi; Carlo Pedone; Ettore Benedetti; G P Lorenzi
Conformational studies of heterochiral peptides with diastereoisomeric residues: crystal and molecular structures of linear dipeptides derived from leucine, isoleucine, and allo-isoleucine.
Biopolymers 1995;36(4):401-8.