View contact record, Full name: Giuseppina De Simone
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NameGiuseppina De Simone
AreaResearch&Development
PositionDirector of Institute
Work siteNaples - De Amicis
AddressVia De Amicis 95, 80145 Naples - Italy
E-mailgiuseppina.desimonecnr.it
Office phone+39 081 2203411 | +39 081 2534579
Mobile phone+39 349.641.67.53
▼    Cancer Diseases
▼    Gadd45 beta and its implication in chronic inflammation
▼    Structural characterization of proteins and enzymes isolated from organisms living under unusual conditions
▼    Characterization of the KCTD protein family: key factors in several biological processes
▼    Characterization of neurotoxic and neuroprotective factors by using computational methodologies
▼    Monoclonal Antibodies for therapeutic and diagnostic applications
▼    Targeted Drug Delivery by integrin avb3 antagonist
▼    Chemical protein synthesis and modification for biomedical applications
▼    Biomolecules able to modulate the VEGF-dependent angiogenesis
▼    Imaging Tumor Acidosis
▼    Bioactive peptide-membrane assemblies
No results.
▼    Carbonic Anhydrase IX as target for the development of new anti-tumour drugs
▼    Clinical Oncology
▼    Translational Molecular Imaging in Cancer
▼    Molecular imaging for personalized therapy in oncology
▼    Modeling radiation induced normal tissue effects
▼    Evaluation of new molecular probes by preclinical imaging
▼    Environmental chemistry & human health. Computational studies. Synthesis of small molecules, modified peptides and nucleobase-decorated peptides. Spectroscopic and computational investigation on the potential of natural products in biomedicine. Nucleic acid and protein binding studies
▼    Brain segmentation for radiation oncology application
▼    Chemical modification of natural molecules, such as peptides and polysaccharides, to be employed as therapeutic agents as well as sensor diagnostic tools
▼    Drug discovery by mirror-image phage display
▼    Axl and Gas6 targeting for therapeutic and diagnostic applications
▼    Other Diseases
▼    Structural characterization of proteins and enzymes isolated from organisms living under unusual conditions
▼    Characterization of neurotoxic and neuroprotective factors by using computational methodologies
▼    Bioactive peptide-membrane assemblies
No results.
▼    Biomolecules able to modulate the VEGF-dependent angiogenesis
▼    Chemical protein synthesis and modification for biomedical applications
▼    Comparison of noninvasive cardiac imaging modalities in patients with myocardial infarction
▼    Structural and functional studies of virulence factors in Mycobacterium tuberculosis infection
▼    Assessment of the cardiac risk and its temporal variation
▼    Evaluation of new molecular probes by preclinical imaging
▼    Environmental chemistry & human health. Computational studies. Synthesis of small molecules, modified peptides and nucleobase-decorated peptides. Spectroscopic and computational investigation on the potential of natural products in biomedicine. Nucleic acid and protein binding studies
▼    Phenotyping of murine models by preclinical imaging
▼    Chemical modification of natural molecules, such as peptides and polysaccharides, to be employed as therapeutic agents as well as sensor diagnostic tools
▼    Drug discovery by mirror-image phage display
▼    Axl and Gas6 targeting for therapeutic and diagnostic applications
▼    Structure and function of proteins involved in physio-pathologic processes
▼    Carbonic Anhydrase IX as target for the development of new anti-tumour drugs
▼    Biomolecules able to modulate the VEGF-dependent angiogenesis
▼    A multi-targeting approach to fight COVID-19
▼    Galectins: Structure, function and therapeutic potential inhibitors
▼    Carbonic Anhydrase family as target for rational drug design
▼    Characterization of the KCTD protein family: key factors in several biological processes
▼    Chemical protein synthesis and modification for biomedical applications
▼    Protein-Protein-Interaction network–disease relationship, pathogenicity and therapeutic perspectives
▼    Biomolecular NMR: structural studies of proteins and peptides and drug discovery applications
▼    Structural characterization of the porphyrins/proteasome interaction
▼    Axl and Gas6 targeting for therapeutic and diagnostic applications
▼    Drug discovery by mirror-image phage display
▼    Analysis of Sam domain druggability through computational and experimental studies
▼    Targeting Sam-Sam interactions mediated by EphA2 receptor: design and evaluation of peptide inhibitors
▼    Environmental chemistry & human health. Computational studies. Synthesis of small molecules, modified peptides and nucleobase-decorated peptides. Spectroscopic and computational investigation on the potential of natural products in biomedicine. Nucleic acid and protein binding studies
▼    Biochemical and functional characterization of intrinsically disordered proteins (IDPs) in human diseases
▼    Biochemical and functional characterization of Protein-Protein and DNA-protein Interaction networks in physio/pathological events
▼    Biochemical and structural insights on Chromatin Assembly Factor 1 in physio/pathological events
▼    Targeting Of Protein-Protein Interactions For Therapeutic Purposes
▼    Macromolecules for biomedical and biotechnological applications
▼    Protein-Protein-Interaction network–disease relationship, pathogenicity and therapeutic perspectives
▼    A multi-targeting approach to fight COVID-19
▼    Galectins: Structure, function and therapeutic potential inhibitors
▼    Characterization of the KCTD protein family: key factors in several biological processes
▼    Chemical protein synthesis and modification for biomedical applications
▼    Biomolecules able to modulate the VEGF-dependent angiogenesis
▼    Biomolecular NMR: structural studies of proteins and peptides and drug discovery applications
▼    Axl and Gas6 targeting for therapeutic and diagnostic applications
▼    Generation of innovative scaffolds by manipulating hyperstable proteins
▼    The fine structure of proteins as a new tool for protein structure validation, quality assessment, and prediction
▼    Carbonic Anhydrase IX as target for the development of new anti-tumour drugs
▼    Biochemical and functional characterization of intrinsically disordered proteins (IDPs) in human diseases
▼    Biochemical and functional characterization of Protein-Protein and DNA-protein Interaction networks in physio/pathological events
▼    Biochemical and structural insights on Chromatin Assembly Factor 1 in physio/pathological events
▼    Plant polypeptides as natural enhancers of biostimulation
▼    Chemical modification of natural molecules, such as peptides and polysaccharides, to be employed as therapeutic agents as well as sensor diagnostic tools
▼    Protein-based biotherapeutics
▼    Understanding SARS-CoV-2 interaction with its host of for therapeutic applications
▼    Structural characterization of proteins and enzymes isolated from organisms living under unusual conditions
▼    Carbonic Anhydrase family as target for rational drug design
▼    Carbonic Anhydrase IX as target for the development of new anti-tumour drugs
▼    Biochemical and functional characterization of intrinsically disordered proteins (IDPs) in human diseases
▼    Biochemical and functional characterization of Protein-Protein and DNA-protein Interaction networks in physio/pathological events
▼    Biochemical and structural insights on Chromatin Assembly Factor 1 in physio/pathological events

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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* Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain (59 views)
Akgül Ö, Lucarini E, Mannelli LDC, Ghelardini C, D'Xambrosio K, Buonanno M, Monti SM, De Simone G, Angeli A, Supuran CT, Carta F
Eur J Med Chem (ISSN: 0223-5234linking, 1768-3254, 1768-3254electronic), 2022 Jan 5; 227: 113956-113956.
Impact Factor: 7.088
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* Crystal structure of an S-formylglutathione hydrolase from pseudoalteromonas haloplanktis TAC125 (451 views)
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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* Benzoxaborole as a new chemotype for carbonic anhydrase inhibition (498 views)
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: 1359-7345, 1364-548x, 1364-548xelectronic), 2016 Sep 29; 52(80): 11983-11986.
Impact Factor: 6.319
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* Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1, 3-disulfonamides-Solution and crystallographic studies (417 views)
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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* Multiple binding modes of inhibitors to carbonic anhydrases: How to design specific drugs targeting 15 different isoforms? (630 views)
Alterio V, Di Fiore A, D'Ambrosio K, Supuran CT, De Simone G
Chem Rev (ISSN: 0009-2665), 2012 Sep; 112(8): 4421-4468.
Impact Factor: 41.298
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* X-Ray Crystallography of Carbonic Anhydrase Inhibitors and Its Importance in Drug Design (492 views)
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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* 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 (584 views)
Alterio V, Esposito D, Monti SM, Supuran CT, De Simone G
J Enzym Inhib Med Ch (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 151-157.
Impact Factor: 4.293
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* Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX (674 views)
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
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2009 Sep 22; 106(38): 16233-16238.
Impact Factor: 9.432
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* Biochemical and structural insights into Carbonic Anhydrase XII/Fab6A10 complex (218 views)
Alterio V, Kellner M, Esposito D, Liesche-starnecker F, Bua S, Supuran CT, Monti SM, Zeidler R, De Simone G
J Mol Biol (ISSN: 0022-2836linking, 1089-8638), 2019 Dec 6; 431(24): 4910-4921.
Impact Factor: 5.067
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* Zeta-carbonic anhydrases show CS(2) hydrolase activity: A new metabolic carbon acquisition pathway in diatoms? (143 views)
Alterio V, Langella E, Buonanno M, Esposito D, Nocentini A, Berrino E, Bua S, Polentarutti M, Supuran CT, Monti SM, De Simone G
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2021 Jun 5; 19: 3427-3436.
Impact Factor: 7.271
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* Cadmium-containing carbonic anhydrase CDCA1 in marine diatom Thalassiosira weissflogii (848 views)
Alterio V, Langella E, De Simone G, Monti SM
Mar Drugs (ISSN: 1660-3397, 1660-3397linking), 2015 Mar 25; 13(4): 1688-1697.
Impact Factor: 3.345
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* Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii (579 views)
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
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* Thermal-stable carbonic anhydrases: a structural overview (441 views)
Alterio V, Monti SM, De Simone G
Subcell Biochem (ISSN: 0306-0225), 2014; 75: 387-404.
Impact Factor: 33.116
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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 (597 views)
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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* The Structural Comparison Between Membrane-Associated Human Carbonic Anhydrases Provides Insights Into Drug Design Of Selective Inhibitors (530 views)
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
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* X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor (391 views)
Alterio V, Tanc M, Ivanova J, Zalubovskis R, Vozny I, Monti SM, Di Fiore A, De Simone G, Supuran CT
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2015 Apr 7; 13(13): 4064-4069.
Impact Factor: 3.559
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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 (808 views)
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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* Carbonic Anhydrase Inhibitors Targeting Metabolism and Tumor Microenvironment (168 views)
Angeli A, Carta F, Nocentini A, Winum J, Zalubovskis R, Akdemir A, Onnis V, Eldehna WM, Capasso C, De Simone G, Monti Simona M, Carradori S, Donald WA, Dedhar S, Supuran CT
Metabolites, 2020 Oct 14; 10: 412-412.
Impact Factor: 4.097
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* Biochemical and Structural Insights into the Winged Helix Domain of P150, the Largest Subunit of the Chromatin Assembly Factor (67 views)
Ayoub J, Buonanno M, Di Fiore A, De Simone G, Monti SM
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic), 2022 Feb 15; 23(4): 2160-2160.
Impact Factor: 6.208
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* An integrated structural and computational study of the thermostability of two thioredoxin mutants from Alicyclobacillus acidocaldarius (399 views)
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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* 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site (149 views)
Bozdag M, Supuran CT, Esposito D, Angeli A, Carta F, Monti SM, De Simone G, Alterio V
Chem Commun (ISSN: 1359-7345linking, 1364-548xelectronic), 2020 Jul 23; 56(59): 8297-8300.
Impact Factor: 5.996
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* Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides (477 views)
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: 6.253
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* Characterization of carbonic anhydrase ix interactome reveals proteins assisting its nuclear localization in hypoxic cells (549 views)
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
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* Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety (417 views)
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), 2019 Feb 1; 163: 443-452.
Impact Factor: 4.833
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* The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior (394 views)
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
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* Disclosing the Interaction of Carbonic Anhydrase IX with Cullin-Associated NEDD8-Dissociated Protein 1 by Molecular Modeling and Integrated Binding Measurements (417 views)
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: 1554-8929), 2017 Apr 19; N/D: N/D-N/D.
Impact Factor: 4.592
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* Histone deacetylase and Cullin3-REN(KCTD11) ubiquitin ligase interplay regulates Hedgehog signalling through Gli acetylation (914 views)
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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* Metal ion substitution in the catalytic site greatly affects the binding of sulfhydryl-containing compounds to leucyl aminopeptidase (1054 views)
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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* A new spot test for sulfhydryl-containing compounds (510 views)
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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* C68 from the Sulfolobus islandicus plasmid-virus pSSVx is a novel member of the AbrB-like transcription factor family (1161 views)
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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* Catechols: a new class of carbonic anhydrase inhibitors (114 views)
D'Ambrosio K, Carradori S, Cesa S, Angeli A, Monti SM, Supuran CT, De Simone G
Chem Commun (ISSN: 1359-7345linking, 1364-548xelectronic), 2020 Nov 4; 56(85): 13033-13033.
Impact Factor: 5.996
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* Out of the active site binding pocket for carbonic anhydrase inhibitors (642 views) (PDF 258 views)
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
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* Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aquifex aeolicus (407 views)
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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* Crystallization and preliminary X-ray diffraction studies of a protein disulfide oxidoreductase from Aeropyrum pernix K1 (446 views)
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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* Human Carbonic Anhydrases: Catalytic Properties, Structural Features, and Tissue Distribution (372 views)
D'Ambrosio K, De Simone G, Supuran CT
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 17-30.
Impact Factor: 0
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* Insights into the catalytic mechanism of the Bcp family: functional and structural analysis of Bcp1 from Sulfolobus solfataricus (737 views)
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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* 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 (544 views)
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, 0300-9084linking), 2014 Feb; 97(1): 114-120.
Impact Factor: 2.963
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* Carbonic anhydrase inhibitors: Binding of indanesulfonamides to the human isoform II (482 views)
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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* A novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: Structure, function and electrostatics (646 views)
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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* Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups (552 views)
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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* Are Carbonic Anhydrases Suitable Targets to Fight Protozoan Parasitic Diseases? (308 views)
D'Ambrosio K, Supuran CT, De Simone G
Curr Med Chem (ISSN: 1875-533xelectronic, 0929-8673linking), 2018; 25(39): 5266-5278.
Impact Factor: 4.63
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* Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii (972 views)
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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* Biochemical Characterization Of The Chloroplastic β-Carbonic Anhydrase From Flaveria Bidentis (l. ) "kuntze" (653 views)
Dathan NA, Alterio V, Troiano E, Vullo D, Ludwig M, De Simone G, Supuran CT, Monti SM
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2014; 29(4): 500-504.
Impact Factor: 2.332
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* The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development (152 views)
D’ambrosio K, Di Fiore A, Buonanno M, Kumari S, Tiwari M, Supuran CT, Mishra CB, Monti SM, De Simone G
New Journal Of Chemistry, 2021; 45: 147-152.
Impact Factor: 3.288
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* Editorial: Zinc Metallo-Enzymes As Target For Drug Design (539 views)
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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* Targeted treatment of anaerobic cancer. Patent evaluation of US2016279084 and US2017056350 (304 views)
De Simone G
Expert Opin Ther Pat (ISSN: 1744-7674electronic, 1354-3776linking), 2019 Jan; 29(1): 1-6.
Impact Factor: 3.699
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* Exploiting the hydrophobic and hydrophilic binding sites for designing carbonic anhydrase inhibitors (608 views)
De Simone G, Alterio V, Supuran CT
Expert Opin Drug Discov (ISSN: 1746-0441), 2013 Jul; 8(7): 793-810.
Impact Factor: 3.467
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* Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding (303 views)
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
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* Benzyl alcohol inhibits carbonic anhydrases by anchoring to the zinc coordinated water molecule (87 views)
De Simone G, Bua S, Supuran CT, Alterio V
Biochem Biophys Res Commun (ISSN: 0006-291xlinking), 2021 Apr 9; 548: 217-221.
Impact Factor: 3.575
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* Recent Advances in the Development of New Therapeutic Tools Against Major Parasitic Diseases (298 views)
De Simone G, D'Ambrosio K
Curr Med Chem (ISSN: 0929-8673linking, 1875-533xelectronic), 2018; 25(39): 5238-5238.
Impact Factor: 4.63
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* The zinc coordination pattern in the eta-carbonic anhydrase from Plasmodium falciparum is different from all other carbonic anhydrase genetic families (554 views)
De Simone G, Di Fiore A, Capasso C, Supuran CT
Bioorg Med Chem Lett (ISSN: 0960-894x), 2015 Apr 1; 25(7): 1385-1389.
Impact Factor: 2.486
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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 (904 views)
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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* Are carbonic anhydrase inhibitors suitable for obtaining antiobesity drugs? (581 views)
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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* Exploration of the residues modulating the catalytic features of human carbonic anhydrase XIII by a site-specific mutagenesis approach (296 views)
De Simone G, Di Fiore A, Truppo E, Langella E, Vullo D, Supuran CT, Monti SM
J Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 2019 Dec; 34(1): 1506-1510.
Impact Factor: 4.027
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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 (812 views)
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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* Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations (318 views)
De Simone G, Langella E, Esposito D, Supuran CT, Monti SM, Winum JY, Alterio V
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 1002-1011.
Impact Factor: 3.638
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Hirunorms Are True Hirudin Mimetics. The Crystal Structure Of Human Alpha-Thrombin-Hirunorm V Complex (701 views)
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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The crystal structure of a Dcp-containing peptide (822 views)
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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Crystallization and preliminary X-ray diffraction studies of the carboxylesterase EST2 from Alicyclobacillus acidocaldarius (484 views)
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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* A substrate-induced switch in the reaction mechanism of a thermophilic esterase - Kinetic evidences and structural basis (567 views)
De Simone G, Mandrich L, Menchise V, Giordano V, Febbraio F, Rossi M, Pedone C, Manco G
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2004 Feb 20; 279(8): 6815-6823.
Impact Factor: 6.355
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* The crystal structure of an EST2 mutant unveils structural insights on the H group of the carboxylesterase/lipase family (1081 views)
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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* The crystal structure of a hyper-thermophilic carboxylesterase from the archaeon Archaeoglobus fulgidus (642 views)
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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* Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: Molecular and X-ray crystallographic studies (458 views)
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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* Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense (386 views)
De Simone G, Monti SM, Alterio V, Buonanno M, De Luca V, Rossi M, Carginale V, Supuran CT, Capasso C, Di Fiore A
Bioorg Med Chem Lett (ISSN: 0960-894x), 2015 May 1; 25(9): 2002-2006.
Impact Factor: 2.486
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* Hydrophobic substituents of the phenylmethylsulfamide moiety can be used for the development of new selective carbonic anhydrase inhibitors (376 views)
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), 2014; 2014: 523210-523210.
Impact Factor: 1.579
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* Which Carbonic Anhydrases are Targeted by the Antiepileptic Sulfonamides and Sulfamates? (470 views)
De Simone G, Scozzafava A, Supuran CT
Chem Biol Drug Des (ISSN: 1747-0277, 1747-0285), 2009 Sep; 74(3): 317-321.
Impact Factor: 2.473
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* Carbonic anhydrase IX: Biochemical and crystallographic characterization of a novel antitumor target (480 views)
De Simone G, Supuran CT
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2010 Feb; 1804(2): 404-409.
Impact Factor: 2.773
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* Antiobesity carbonic anhydrase inhibitors (659 views)
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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* Drug Design of Antiobesity Carbonic Anhydrase Inhibitors (379 views)
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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* (In)organic anions as carbonic anhydrase inhibitors (519 views)
De Simone G, Supuran CT
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2012 Jun; 111: 117-129.
Impact Factor: 3.197
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* Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX (611 views)
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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* Human Carbonic Anhydrase Vii Protects Cells From Oxidative Damage (416 views)
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
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* Cloning, expression and purification of the complete domain of the eta-carbonic anhydrase from Plasmodium falciparum (421 views)
Del Prete S, De Luca V, De Simone G, Supuran CT, Capasso C
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2016 Jun; 31(sup4): 54-59.
Impact Factor: 4.293
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Functionalized cyclodextrins: Synthesis and structural characterization of 6-deoxy-6-{4-[N-tert-butoxycarbonyl-2-aminoethyl]-imidazolyl}-cyclomaltoheptaose (431 views)
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 (484 views)
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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* Thermostable carbonic anhydrases in biotechnological applications (595 views)
Di Fiore A, Alterio V, Monti SM, De Simone G, D’Ambrosio K
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(7): 15456-15480.
Impact Factor: 3.257
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* X-ray structure of the first 'extremo-alpha-carbonic anhydrase', a dimeric enzyme from the thermophilic bacterium Sulfurihydrogenibium yellowstonense YO3AOP1 (851 views)
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
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* Biochemical, structural, and computational studies of a γ-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei (59 views)
Di Fiore A, De Luca V, Langella E, Nocentini A, Buonanno M, Monti SM, Supuran CT, Capasso C, De Simone G
Comput Struct Biotechnol J (ISSN: 2001-0370linking), 2022 Jul 27; 20: 4185-4194.
Impact Factor: 6.155
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* The anticonvulsant sulfamide JNJ-26990990 and its S, S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies (317 views)
Di Fiore A, De Simone G, Alterio V, Riccio V, Winum JY, Carta F, Supuran CT
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2016 Jun 07; 14(21): 4853-4858.
Impact Factor: 3.564
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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 (571 views)
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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* Structural analysis of BldR from Sulfolobus solfataricus provides insights into the molecular basis of transcriptional activation in Archaea by MarR family proteins (509 views)
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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* Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II (381 views)
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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* Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors (417 views)
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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* Protective Role of Carbonic Anhydrases III and VII in Cellular Defense Mechanisms upon Redox Unbalance (269 views)
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
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* Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide (932 views)
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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* Carbonic anhydrase inhibitors: Crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV (400 views)
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 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 (502 views)
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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* 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 (386 views)
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: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties (507 views)
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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* Post-translational modifications in tumor-associated carbonic anhydrases (90 views)
Di Fiore A, Supuran CT, Scaloni A, De Simone G
Amino Acids (ISSN: 0939-4451linking, 1438-2199electronic), 2022 Apr; 54(4): 543-558.
Impact Factor: 3.46
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* Human carbonic anhydrases and post-translational modifications: a hidden world possibly affecting protein properties and functions (203 views)
Di Fiore A, Supuran CT, Scaloni A, De Simone G
J Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 2020 Dec; 35(1): 1450-1461.
Impact Factor: 4.673
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* Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide (525 views)
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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* Hydroxylamine-O-sulfonamide is a versatile lead compound for the development of carbonic anhydrase inhibitors (395 views) (PDF 244 views)
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: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jul 2; 51(57): 11519-11522.
Impact Factor: 6.567
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* Drug design studies of the novel antitumor targets carbonic anhydrase IX and XII (610 views)
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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* Biochemical characterization of CA IX, one of the most active carbonic anhydrase isozymes (829 views)
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
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2008 Oct 10; 283(41): 27799-27809.
Impact Factor: 5.52
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* Advances in the Inhibitory and Structural Investigations on Carbonic Anhydrase Isozymes XIII and XV (356 views)
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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* Recent advances in research on the most novel carbonic anhydrases, CA XIII and XV (744 views)
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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* 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 (355 views)
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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* 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 (428 views)
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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* Discovery of 1, 1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors (396 views)
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: 0022-2623, 1520-4804, 0022-2623print), 2015 Nov 12; 58(21): 8564-8572.
Impact Factor: 5.589
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* Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity (309 views)
Langella E, Alterio V, D'Ambrosio K, Cadoni R, Winum JY, Supuran CT, Monti SM, De Simone G, Di Fiore A
J Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 2019 Dec; 34(1): 1498-1505.
Impact Factor: 4.027
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* Intrinsically disordered features of carbonic anhydrase IX proteoglycan-like domain (131 views)
Langella E, Buonanno M, De Simone G, Monti SM
Cell Mol Life Sci (ISSN: 1420-682xlinking), 2020; 21: 8405-8405.
Impact Factor: 6.496
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* Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX (364 views)
Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM
Cell Mol Life Sci (ISSN: 1420-682xlinking), 2018 Sep; 75(17): 3283-3296.
Impact Factor: 6.721
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* A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases (396 views)
Langella E, D'Ambrosio K, D'Ascenzio M, Carradori S, Monti SM, Supuran CT, De Simone G
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 4; 22(1): 97-100.
Impact Factor: 5.317
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* A Combined in Silico and Structural Study Opens New Perspectives on Aliphatic Sulfonamides, a Still Poorly Investigated Class of CA Inhibitors (155 views)
Langella E, Esposito D, Monti SM, Supuran CT, De Simone G, Alterio V
Biology (ISSN: 2079-7737linking), 2023 Feb 10; 12 (2 ): N/D-N/D.
Impact Factor:
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* Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents (585 views)
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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* 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity (1048 views)
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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* Exploring the catalytic mechanism of the first dimeric Bcp: Functional, structural and docking analyses of Bcp4 from Sulfolobus solfataricus (562 views)
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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* Sulfolobus solfataricus thiol redox puzzle: characterization of an atypical protein disulfide oxidoreductase (595 views)
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
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The crystal structure of Afc-containing peptide (582 views)
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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From natural to synthetic multisite thrombin inhibitors (453 views)
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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The crystal structure of alpha-thrombin-hinunorm IV complex reveals a novel specificity site recognition mode (327 views)
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 (606 views)
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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* Design, synthesis and biochemical evaluation of novel carbonic anhydrase inhibitors triggered by structural knowledge on hCA VII (142 views)
Mancuso F, Di Fiore A, De Luca L, Angeli A, De Simone G, Supuran CT, Gitto R
Bioorg Med Chem (ISSN: 0968-0896linking, 1464-3391), 2021 Aug 15; 44: 116279-116279.
Impact Factor: 3.641
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* Looking toward the Rim of the Active Site Cavity of Druggable Human Carbonic Anhydrase Isoforms (154 views)
Mancuso F, Di Fiore A, De Luca L, Angeli A, Monti SM, De Simone G, Supuran CT, Gitto R
Acs Med Chem Lett (ISSN: 1948-5875linking), 2020 May 14; 11(5): 1000-1005.
Impact Factor: 3.975
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* Functional and structural features of the oxyanion hole in a thermophilic esterase from Alicyclobacillus acidocaldarius (463 views)
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: 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 (578 views)
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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* Crystallization and preliminary X-ray diffraction studies of a D-lysine-based chiral PNA-DNA duplex (428 views)
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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* 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 (356 views)
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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* Insights into peptide nucleic acid (PNA) structural features: The crystal structure of a D-lysine-based chiral PNA-DNA duplex (2444 views)
Menchise V, De Simone G, Tedeschi T, Corradini R, Sforza S, Marchelli R, Capasso D, Saviano M, Pedone C
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2003 Oct 14; 100(21): 12021-12026.
Impact Factor: 10.272
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* Insights into the role of reactive sulfhydryl groups of Carbonic Anhydrase III and VII during oxidative damage (455 views)
Monti DM, De Simone G, Langella E, Supuran CT, Di Fiore A, Monti SM
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 5-12.
Impact Factor: 3.638
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* Editorial (Thematic Issue: Bacterial Metallo-Enzymes as Drug Targets) (384 views)
Monti SM, D'Ambrosio K, De Simone G
Curr Top Med Chem (ISSN: 1568-0266, 1568-0266linking), 2016; 16(21): 2329-2329.
Impact Factor: 2.864
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* L-Histidinol Dehydrogenase as a New Target for Old Diseases (511 views)
Monti SM, De Simone G, D'Ambrosio K
Curr Top Med Chem (ISSN: 1568-0266, 1568-0266linking), 2016 Apr 13; 16(21): 2369-2378.
Impact Factor: 2.864
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* Kinetic And Anion Inhibition Studies Of A Beta-Carbonic Anhydrase (fbica 1) From The C-4 Plant Flaveria Bidentis (506 views)
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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* The Amazing World of IDPs in Human Diseases (127 views)
Monti SM, De Simone G, Langella E, Monti SM, De Simone G, Langella E
Biomolecules (ISSN: 2218-273xlinking), 2021 Feb 23; 11(2): 333-333.
Impact Factor: 4.879
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* CDCA1 From Thalassiosira weissflogii as Representative Member of ζ-Class CAs: General Features and Biotechnological Applications (331 views)
Monti SM, De Simone G, Supuran CT, Alterio V
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 351-359.
Impact Factor: 0
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* Dithiocarbamates are strong inhibitors of the beta-class fungal carbonic anhydrases from Cryptococcus neoformans, Candida albicans and Candida glabrata (438 views)
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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* DPP-4 inhibitors: a patent review (2012 - 2014) (623 views)
Monti SM, Supuran CT,  De Simone G
Expert Opin Ther Pat (ISSN: 1354-3776, 1744-7674electronic), 2015 Feb; 25(2): 209-236.
Impact Factor: 4.626
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* Carbonic anhydrase IX as a target for designing novel anticancer drugs (848 views)
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
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* Anticancer carbonic anhydrase inhibitors: A patent review (2008-2013) (574 views)
Monti SM, Supuran CT, De Simone G
Expert Opin Ther Pat (ISSN: 1354-3776, 1744-7674electronic), 2013 Jun; 23(6): 737-749.
Impact Factor: 3.441
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* Carbonic Anhydrase VII (285 views)
Monti SM, Supuran CT, De Simone G, Di Fiore A
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 151-168.
Impact Factor: 0
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* 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 (225 views)
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
J Med Chem (ISSN: 0022-2623linking, 0022-2623print, 1520-4804), 2020 May 28; 63(10): 5185-5200.
Impact Factor: 6.205
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* 6-Substituted Triazolyl Benzoxaboroles as Selective Carbonic Anhydrase Inhibitors: In Silico Design, Synthesis, and X-ray Crystallography (67 views)
Nocentini A, Bonardi A, Bazzicalupi C, Alterio V, Esposito D, Monti SM, Smietana M, De Simone G, Supuran CT, Gratteri P, Winum JY
J Med Chem (ISSN: 0022-2623linking), 2023 Jun 22; 66 (12 ): 8118-8129.
Impact Factor:
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* Interaction Studies between Carbonic Anhydrase and a Sulfonamide Inhibitor by Experimental and Theoretical Approaches (111 views)
Pagnozzi D, Pala N, Biosa G, Dallocchio R, Dessì A, Singh PK, Rogolino D, Di Fiore A, De Simone G, Supuran CT, Sechi M
Acs Med Chem Lett, 2022; 13: 271-277.
Impact Factor: 4.632
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Multiple binding mode of reversible synthetic thrombin inhibitors. A comparative structural analysis (689 views)
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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Conformational behavior of C(α, α)-diphenyl glycine: Extended conformation in tripeptides containing consecutive Dφg residues (494 views)
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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* Insights on a new PDI-like family: Structural and functional analysis of a protein disulfide oxidoreductase from the bacterium Aquifex aeolicus (502 views)
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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* Multiple catalytically active thioredoxin folds: a winning strategy for many functions (989 views)
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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* Design, synthesis and characterization of a peptide able to bind proteins of the KCTD family: implications for KCTD - cullin 3 recognition (508 views)
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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* Hypoxia-targeting carbonic anhydrase IX inhibitors by a new series of nitroimidazole-sulfonamides/sulfamides/sulfamates (628 views)
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
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* A Novel Inhibitor of Carbonic Anhydrases Prevents Hypoxia-Induced TNBC Cell Plasticity (162 views) (PDF 40 views)
Sarnella A, D'Avino G, Hill BS, Alterio V, Winum JY, Supuran CT, De Simone G, Zannetti A
Int J Mol Sc (ISSN: 1422-0067linking, 1422-0067electronic, 1661-6596), 2020 Nov 9; 21(21): N/D-N/D.
Impact Factor: 4.556
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* Inhibition of carbonic anhydrases IX/XII by SLC-0111 boosts cisplatin effects in hampering head and neck squamous carcinoma cell growth and invasion (106 views)
Sarnella A, Ferrara Y, Auletta L, Albanese S, Cerchia L, Alterio V, De Simone G, Supuran CT, Zannetti A
J Exp Clin Canc Res (ISSN: 0392-9078linking, 1756-9966, 1756-9966electronic), 2022 Apr 2; 41(1): 122-122.
Impact Factor: 12.658
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* Crystallization and preliminary X-ray diffraction studies of Aes acetyl-esterase from Escherichia coli (430 views)
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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* Inhibition of carbonic anhydrase IX targets primary tumors, metastases, and cancer stem cells: Three for the price of one (744 views)
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
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* Carbonic Anhydrase II as Target for Drug Design (360 views)
Supuran CT, Capasso C, De Simone G
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 51-90.
Impact Factor: 0
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Carbonic Anhydrases: An Overview (378 views)
Supuran CT, De Simone G
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 3-13.
Impact Factor: 0
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Carbonic anhydrases--an overview (430 views)
Supuran CT, De Simone G
Curr Pharm Des, 2008; 14(7): 603-614.
Impact Factor: 0
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* Recent advances in structural studies of the carbonic anhydrase family: The crystal structure of human CA IX and CA XIII (570 views)
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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* Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity (730 views)
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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* Faox enzymes inhibited Maillard reaction development during storage both in protein glucose model system and low lactose UHT milk (297 views)
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: 3.293
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* Carbonic anhydrase VII is S-glutathionylated without loss of catalytic activity and affinity for sulfonamide inhibitors (472 views)
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
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* Inhibition of the β-carbonic anhydrase from the protozoan pathogen Trichomonas vaginalis with sulphonamides (208 views)
Urbański LJ, Angeli A, Hytönen VP, Di Fiore A, De Simone G, Parkkila S, Supuran CT
J Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 2021 Dec; 36(1): 329-334.
Impact Factor: 4.673
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* Inhibition of the newly discovered β‑carbonic anhydrase from the protozoan pathogen Trichomonas vaginalis with inorganic anions and small molecules (165 views)
Urbański LJ, Angeli A, Hytönen VP, Di Fiore A, Parkkila S, De Simone G, Supuran CT
J Chem Res (ISSN: 0162-0134linking, 0162-0134print, 1873-3344), 2020 Dec; 213: 111274-111274.
Impact Factor: 3.212
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* Biochemical and structural characterisation of a protozoan beta-carbonic anhydrase from Trichomonas vaginalis (195 views)
Urbański LJ, Di Fiore A, Azizi L, Hytönen VP, Kuuslahti M, Buonanno M, Monti SM, Angeli A, Zolfaghari Emameh R, Supuran CT, De Simone G, Parkkila S
J Enzym Inhib Med Ch (ISSN: 1475-6366linking, 1475-6374electronic), 2020 Dec; 35(1): 1292-1299.
Impact Factor: 4.673
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* Inhibition Of The R1 Fragment Of The Cadmium-Containing Zeta-Class Carbonic Anhydrase From The Diatom Thalassiosira Weissflogii With Anions (377 views)
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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* 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 (515 views)
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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* Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA (390 views)
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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* Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1, 6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors (329 views)
Vullo D, Supuran CT, Scozzafava A, De Simone G, Monti SM, Alterio V, Carta F
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 0968-0896linking), 2016 Aug 15; 24(16): 3643-3648.
Impact Factor: 2.93
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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 (791 views)
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 (ISSN: 1535-7163, 1538-8514electronic), 2008 Sep; 7(8): 2435-2444.
Impact Factor: 5.003
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159 Records (157 excluding Abstracts).
Total impact factor: 705.805 (696.233 excluding Abstracts).
Total 5 year impact factor: 647.499 (638.393 excluding Abstracts).

Last modified by Massimiliano Sorbillo on Friday 03 May 2024, 13:25:01
15819 views. Last view on Tuesday 08 October 2024, 12:11:09