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Exploiting the hydrophobic and hydrophilic binding sites for designing carbonic anhydrase inhibitors (160 visite)

De Simone G, Alterio V, Supuran CT

Expert Opin Drug Discov (ISSN: 1746-0441), 2013 Jul; 8(7): 793-810.



Tipo di articolo: Journal Article,

Impact factor: 3.467, Impact factor a 5 anni: 2.37

Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-84879407175&partnerID=40&md5=912cf792ada2b1d55289ed44b3a8ca3a

Parole chiave: Carbon Disulfide Hydrolase, Carbonic Anhydrase, Carbonyl Sulfide Hydrolase, Coumarin, Dithiocarbamate, Ester, Hydroxamate, Natural Product, Phenol, Polyamine, Sulfocoumarin, Sulfonamide, X-Ray Crystallography, Benzenesulfonohydroxamic Acid, Carbon Dioxide, Carbonate Dehydratase Iii, Carbonate Dehydratase Inhibitor, Carbonate Dehydratase Xii, Hydroxamic Acid Derivative, N Methoxybenzenesulfonamide, Unclassified Drug, Binding Site, Catalysis, Chemical Structure, Drug Design, Drug Structure, Enzyme Inhibition, Hydrophilicity, Hydrophobicity, Priority Journal, Review, X Ray Crystallography, Carbonic Anhydrase Inhibitors, Humans, Hydrophobic And Hydrophilic Interactions, Models, Molecular, Structure-Activity Relationship,

Affiliazioni:

*** IBB - CNR ***
Istituto di Biostrutture e Bioimmagini-CNR, via Mezzocannone 16, 80134 Naples, Italy
Università Degli Studi di Firenze, NEUROFARBA Department, Via Ugo Schiff 6, 50019 Sesto Fiorentino (Florence), Italy
Universit Degli Studi di Firenze, NEUROFARBA Department, Via Ugo Schiff 6, 50019 Sesto Fiorentino (Florence), Italy



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doi:10.1517/13543776.2013.778245

Smeulders, M. J., Barends, T. R., Pol, A., Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon (2011) Nature, 478, pp. 412-416

Supuran, C. T., Carbonic anhydrases: Novel therapeutic applications for inhibitors and activators (2008) Nat Rev Drug Discov, 7, pp. 168-181

Smith, K. S., Jakubzick, C., Whittam, T. S., Ferry, J. G., Carbonic anhydrase is an ancient enzyme widespread in prokaryotes (1999) Proc Natl Acad Sci USA, 96, pp. 15184-15189

Eriksson, A. E., Jones, T. A., Liljas, A., Refined structure of human carbonic anhydrase II at 2. 0 A resolution (1988) Proteins, 4, pp. 274-282

Supuran, C. T., Bacterial carbonic anhydrases as drug targets: Towards novel antibiotics? (2011) Front Pharmacol, 2, p. 34

Monti, S. M., De Simone, G., Dathan, N. A., Kinetic and anion inhibition studies of a beta-carbonic anhydrase (FbiCA 1) from the C4 plant Flaveria bidentis (2013) Bioorg Med Chem Lett, 23, pp. 1626-1630

Supuran, C. T., Scozzafava, A., Casini, A., Carbonic anhydrase inhibitors (2003) Med Res Rev, 23, pp. 146-189

Supuran, C. T., Structure-based drug discovery of carbonic anhydrase inhibitors (2012) J Enzyme Inhib Med Chem, 27, pp. 759-772

Covarrubias, A. S., Bergfors, T., Jones, T. A., Hogbom, M., Structural mechanics of the pH-dependent activity of the beta-carbonic anhydrase from Mycobacterium tuberculosis (2006) J Biol Chem, 281, pp. 4993-4999

Domsic, J. F., Avvaru, B. S., Kim, C. U., Entrapment of carbon dioxide in the active site of carbonic anhydrase II (2008) J Biol Chem, 283, pp. 30766-30771

Maupin, C. M., Castillo, N., Taraphder, S., Chemical rescue of enzymes: Proton transfer in mutants of human carbonic anhydrase II (2011) J Am Chem Soc, 133, pp. 6223-6234

Whittington, D. A., Waheed, A., Ulmasov, B., Crystal structure of the dimeric extracellular domain of human carbonic anhydrase XII, a bitopic membrane protein overexpressed in certain cancer tumor cells (2001) Proc Natl Acad Sci USA, 98, pp. 9545-9550

Pe a, K. L., Castel, S. E., De Araujo, C., Structural basis of the oxidative activation of the carboxysomal g-carbonic anhydrase, CcmM (2010) Proc Natl Acad Sci USA, 107, pp. 2455-2460

Woo, L. W., Ganeshapillai, D., Thomas, M. P., Structure-activity relationship for the first-in-class clinical steroid sulfatase inhibitor Irosustat (STX64, BN83495) (2011) ChemMedChem, 6, pp. 2019-2034

Almajan, G. L., Innocenti, A., Puccetti, L., Carbonic anhydrase inhibitors. Inhibition of the cytosolic and tumor-associated carbonic anhydrase isozymes I, II, and IX with a series of 1, 3, 4-thiadiazole-and 1, 2, 4-triazole-thiols (2005) Bioorg Med Chem Lett, 15, pp. 2347-2352

Nair, S. K., Ludwig, P. A., Christianson, D. W., Two-site binding of phenol in the active site of human carbonic anhydrase II: Structural implications for substrate association (1994) J Am Chem Soc, 116, pp. 3659-3660

Davis, R. A., Innocenti, A., Poulsen, S. A., Supuran, C. T., Carbonic anhydrase inhibitors. Identification of selective inhibitors of the human mitochondrial isozymes VA and VB over the cytosolic isozymes i and II from a natural product-based phenolic library (2010) Bioorg Med Chem, 18, pp. 14-18

Martin, D. P., Cohen, S. M., Nucleophile recognition as an alternative inhibition mode for benzoic acid based carbonic anhydrase inhibitors (2012) Chem Commun (Camb), 48, pp. 5259-5261

Davis, R. A., Hofmann, A., Osman, A., Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases (2011) J Med Chem, 54, pp. 1682-1692

McDonald, P. C., Winum, J. Y., Supuran, C. T., Dedhar, S., Recent developments in targeting carbonic anhydrase IX for cancer therapeutics (2012) Oncotarget, 3, pp. 84-97

Davis, R. A., Vullo, D., Maresca, A., Natural product coumarins that inhibit human carbonic anhydrases (2013) Bioorg Med Chem, 21, pp. 1539-1543

Buchieri, M. V., Riafrecha, L. E., Rodr guez, O. M., Inhibition of the b-carbonic anhydrases from Mycobacterium tuberculosis with C-cinnamoyl glycosides: Identification of the first inhibitor with anti-mycobacterial activity (2013) Bioorg Med Chem Lett, 23, pp. 740-743

Kazancio lu, E. A., G ney, M., ent rk, M., Supuran, C. T., Simple methanesulfonates are hydrolyzed by the sulfatase carbonic anhydrase activity (2012) J Enzyme Inhib Med Chem, 27, pp. 880-885

Svastov, E., Hul kov, A., Rafajov, M., Hypoxia activates the capacity of tumor-associated carbonic anhydrase IX to acidify extracellular pH (2004) FEBS Lett, 577, pp. 439-445

Ahlskog, J. K. J., Dumelin, C. E., Tr ssel, S., In vivo targeting of tumor-associated carbonic anhydrases using acetazolamide derivatives (2009) Bioorg Med Chem Lett, 19, pp. 4851-4856

Steele, R. M., Benedini, F., Biondi, S., Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma (2009) Bioorg Med Chem Lett, 19, pp. 6565-6570

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doi: 10. 1517/13543776. 2013. 778245



Introduction: Carbonic anhydrases (CAs, EC 4.2.1.1) exist as five genetically distinct families (α, β, γ, δ and ζ) in organisms all over the phylogenetic tree. Due to the ubiquity of such enzymes, the selective inhibition and polypharmacology of inhibitors is an important aspect of all drug design campaigns. There are several classes of CA inhibitors (CAIs): i) metal ion binders (sulfonamides and their isosteres [sulfamates/sulfamides], dithiocarbamates, mercaptans and hydroxamates); ii) compounds anchoring to the zinc-coordinated water molecule/hydroxide ion (phenols, carboxylates, polyamines, esters and sulfocoumarins) and iii) coumarins and related compounds which apparently bind even further away from the metal ion. Areas covered: The authors rationalize the drug design strategies of inhibitors belonging to the first two classes, based on recent X-ray crystallographic data. More precisely, this is achieved by analyzing how the hydrophobic and hydrophilic halves of the enzyme active site interact with inhibitors. This task has been eased by the recent report of β-CA-like enzymes possessing carbon disulfide and carbonyl sulfide hydrolase activities, respectively, allowing the authors to propose a general approach of structure-based drug design of CAIs. Expert opinion: Although amazing progress has been made in the structure-based drug design of CAIs, this field is still in progress, with many constantly emerging new findings. Indeed, several new such enzymes were discovered and characterized recently and novel chemotypes were explored for finding compounds with a better inhibition profile. It is anticipated that this will continue to be one of the main frontiers in the search of pharmacologically relevant enzyme inhibitors. © 2013 Informa UK, Ltd.
    CA IX as target for the development of new anti-tumour drugs
    Carbonic Anhydrase family as target for rational drug design

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Buemi MR, Di Fiore A, De Luca L, Angeli A, Mancuso F, Ferro S, Monti SM, Buonanno M, Russo E, De Sarro G, De Simone G, Supuran CT, Gitto R
* Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety (26 visite)
Eur J Med Chem (ISSN: 1768-3254electronic, 0223-5234linking), 2018 Dec 1; 163: 443-452.
Impact Factor: 2.882
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Alterio V, Esposito D, Monti SM, Supuran CT, De Simone G
* Crystal structure of the human carbonic anhydrase II adduct with 1-(4-sulfamoylphenyl-ethyl)-2, 4, 6-triphenylpyridinium perchlorate, a membrane-impermeant, isoform selective inhibitor (263 visite)
J Enzyme Inhib Med Chem (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 151-157.
Impact Factor: 4.293
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Monti SM, Meccariello A, Ceruso M, Szafranski K, Slawinski J, Supuran CT
* Inhibition studies of Brucella suis beta-carbonic anhydrases with a series of 4-substituted pyridine-3-sulphonamides (92 visite)
J Enzyme Inhib Med Chem (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 255-259.
Impact Factor: 2.332
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Angeli A, Buonanno M, Donald WA, Monti SM, Supuran CT
* The zinc - but not cadmium - containing zeta-carbonic from the diatom Thalassiosira weissflogii is potently activated by amines and amino acids (28 visite)
Bioorg Chem (ISSN: 1090-2120electronic, 0045-2068linking), 2018 Oct; 80: 261-265.
Impact Factor: 3.929
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De Simone G, Angeli A, Bozdag M, Supuran CT, Winum JY, Monti SM, Alterio V
* Inhibition of carbonic anhydrases by a substrate analog: benzyl carbamate directly coordinates the catalytic zinc ion mimicking bicarbonate binding (42 visite)
Chem Commun (ISSN: 1364-548xelectronic, 1359-7345linking), 2018 Sep 11; 54(73): 10312-10315.
Impact Factor: 6.169
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Langella E, Buonanno M, Vullo D, Dathan N, Leone M, Supuran C, De Simone G, Monti SM
* Biochemical, biophysical and molecular dynamics studies on the proteoglycan-like domain of carbonic anhydrase IX (87 visite)
Cell Mol Life Sci, 2018 Sep; 75: 3283-3296.
Impact Factor: 6.721
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Supuran CT, Alterio V, Di Fiore A, D'Ambrosio K, Carta F, Monti SM, De Simone G
* Inhibition of carbonic anhydrase IX targets primary tumors, metastases, and cancer stem cells: Three for the price of one (45 visite)
Med Res Rev (ISSN: 1098-1128electronic, 0198-6325linking), 2018 Sep; 38(6): 1799-1836.
Impact Factor: 8.29
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Mishra CB, Kumari S, Angeli A, Bua S, Buonanno M, Monti SM, Tiwari M, Supuran CT
* Discovery of potent anti-convulsant carbonic anhydrase inhibitors: Design, synthesis, in vitro and in vivo appraisal (12 visite)
Eur J Med Chem (ISSN: 0223-5234linking, 1768-3254electronic), 2018 Aug 5; 156: 430-443.
Impact Factor: 4.816
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Di Fiore A, Monti DM, Scaloni A, De Simone G, Monti SM
* Protective Role of Carbonic Anhydrases III and VII in Cellular Defense Mechanisms upon Redox Unbalance (46 visite)
Oxid Med Cell Longev (ISSN: 1942-0994linking), 2018 Aug 5; 2018:2018306: 2018306-2018306.
Impact Factor: 4.936
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De Simone G
* Targeted treatment of anaerobic cancer. Patent evaluation of US2016279084 and US2017056350 (12 visite)
Expert Opinion On Therapeutic Patents (ISSN: 1744-7674electronic, 1354-3776linking), 2018 Jun; N/D: 1-6.
Impact Factor: 4.626
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Buonanno M, Di Fiore A, Langella E, D’ambrosio K, Supuran CT, Monti SM, De Simone G
* The Crystal Structure of a hCA VII Variant Provides Insights into the Molecular Determinants Responsible for Its Catalytic Behavior (46 visite)
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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D'Ambrosio K, Supuran CT, De Simone G
* Are Carbonic Anhydrases Suitable Targets to Fight Protozoan Parasitic Diseases? (9 visite)
Curr Med Chem (ISSN: 1875-533xelectronic, 0929-8673linking), 2018 Mar 26; N/D: N/D-N/D.
Impact Factor: 4.63
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De Simone G, Langella E, Esposito D, Supuran CT, Monti SM, Winum JY, Alterio V
* Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations (86 visite)
J Enzyme Inhib Med Chem (ISSN: 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 1002-1011.
Impact Factor: 4.293
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Monti DM, De Simone G, Langella E, Supuran CT, Di Fiore A, Monti SM
* Insights into the role of reactive sulfhydryl groups of Carbonic Anhydrase III and VII during oxidative damage (119 visite)
J Enzyme Inhib Med Chem (ISSN: 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 5-12.
Impact Factor: 4.293
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Marchiori MF, Riul TB, Oliveira Bortot L, Andrade P, Junqueira GG, Foca G, Doti N, Ruvo M, Dias-baruffi M, Carvalho I, Campo VL
* Binding of triazole-linked galactosyl arylsulfonamides to galectin-3 affects Trypanosoma cruzi cell invasion (54 visite)
Bioorg Med Chem (ISSN: 1464-3391electronic, 0968-0896linking), 2017 Nov 1; 25(21): 6049-6059.
Impact Factor: 2.822
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Tomasello MF, Nardon C, Lanza V, Di Natale G, Pettenuzzo N, Salmaso S, Milardi D, Caliceti P, Pappalardo G, Fregona D
* New comprehensive studies of a gold(III) Dithiocarbamate complex with proven anticancer properties: Aqueous dissolution with cyclodextrins, pharmacokinetics and upstream inhibition of the ubiquitin-proteasome pathway (103 visite)
Eur J Med Chem (ISSN: 1768-3254electronic, 0223-5234linking), 2017 Jun 19; 138: 115-127.
Impact Factor: 4.519
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Brunò E, Buemi MR, Di Fiore A, De LucaL, Ferro S, Angeli A, Cirilli R, Sadutto D, Alterio V, Monti SM, Supuran CT, De Simone G, Gitto R
* Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides (98 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 May 25; 60(10): 4316-4326.
Impact Factor: 6.259
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Merlino A, Marzo T, Messori L
* Protein Metalation by Anticancer Metallodrugs: A Joint ESI MS and XRD Investigative Strategy (39 visite)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2017 May 23; 23(29): 6942-6947.
Impact Factor: 5.476
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Buonanno M, Langella E, Zambrano N, Succoio M, Sasso E, Alterio V, Di Fiore A, Sandomenico A, Supuran CT, Scaloni A, Monti SM, De Simone G
* Disclosing the Interaction of Carbonic Anhydrase IX with Cullin-Associated NEDD8-Dissociated Protein 1 by Molecular Modeling and Integrated Binding Measurements (87 visite)
Acs Chem Biol (ISSN: 1554-8937electronic, 1554-8929linking), 2017 Apr 19; N/D: N/D-N/D.
Impact Factor: 4.995
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Mishra CB, Kumari S, Angeli A, Monti SM, Buonanno M, Tiwari M, Supuran CT
* Discovery of Benzenesulfonamides with Potent Human Carbonic Anhydrase Inhibitory and Effective Anticonvulsant Action: Design, Synthesis, and Pharmacological Assessment (69 visite)
J Med Chem (ISSN: 1520-4804electronic, 0022-2623linking, 0022-2623print), 2017 Mar 23; 60(6): 2456-2469.
Impact Factor: 6.259
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Altug C, Gunes H, Nocentini A, Monti SM, Buonanno M, Supuran CT
* Synthesis of isoxazole-containing sulfonamides with potent carbonic anhydrase II and VII inhibitory properties (68 visite)
Bioorg Med Chem (ISSN: 1464-3391electronic, 0968-0896linking), 2017 Feb 15; 25(4): 1456-1464.
Impact Factor: 2.93
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Angapelly S, Ramya PV, Angeli A, Monti SM, Buonanno M, Alvala M, Supuran CT, Arifuddin M
* Discovery of 4-sulfamoyl-phenyl-beta-lactams as a new class of potent carbonic anhydrase isoforms I, II, IV and VII inhibitors: The first example of subnanomolar CA IV inhibitors (77 visite)
Bioorg Med Chem (ISSN: 1464-3391electronic, 0968-0896linking), 2017 Jan 15; pii:S0968-0896(16): 539-544.
Impact Factor: 2.923
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Angapelly S, Ramya PVS, Angeli A, Monti SM, Buonanno M, Alvala M, Supuran CT, Arifuddin M
* Discovery of 4-sulfamoyl-phenyl-β-lactams as a new class of potent carbonic anhydrase isoforms I, II, IV and VII inhibitors: The first example of subnanomolar CA IV inhibitors (4 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2017; 25(2): 539-544.
Impact Factor: 2.822
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Alterio V, Cadoni R, Esposito D, Vullo D, Fiore AD, Monti SM, Caporale A, Ruvo M, Sechi M, Dumy P, Supuran CT, De Simone G, Winum JY
* Benzoxaborole as a new chemotype for carbonic anhydrase inhibition (102 visite)
Chem Commun (ISSN: 1364-548xelectronic, 1359-7345linking), 2016 Sep 29; 52(80): 11983-11986.
Impact Factor: 6.319
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Simoni E, Caporaso R, Bergamini C, Fiori J, Fato R, Miszta P, Filipek S, Caraci F, Giuffrida ML, Andrisano V, Minarini A, Bartolini M, Rosini M
* Polyamine Conjugation as a Promising Strategy To Target Amyloid Aggregation in the Framework of Alzheimer's Disease (90 visite)
Acs Med Chem Lett (ISSN: 1948-5875print, 1948-5875linking), 2016 Sep 26; 7(12): 1145-1150.
Impact Factor: 3.12
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Vullo D, Supuran CT, Scozzafava A, De Simone G, Monti SM, Alterio V, Carta F
* Kinetic and X-ray crystallographic investigations of substituted 2-thio-6-oxo-1, 6-dihydropyrimidine-benzenesulfonamides acting as carbonic anhydrase inhibitors (73 visite)
Bioorg Med Chem (ISSN: 1464-3391electronic, 0968-0896linking), 2016 Aug 15; 24(16): 3643-3648.
Impact Factor: 2.93
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Di Fiore A, De Simone G, Alterio V, Riccio V, Winum JY, Carta F, Supuran CT
* The anticonvulsant sulfamide JNJ-26990990 and its S, S-dioxide analog strongly inhibit carbonic anhydrases: solution and X-ray crystallographic studies (93 visite)
Org Biomol Chem (ISSN: 1477-0520linking, 1477-0539electronic), 2016 Jun 07; 14(21): 4853-4858.
Impact Factor: 3.564
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Del Prete S, De Luca V, De Simone G, Supuran CT, Capasso C
* Cloning, expression and purification of the complete domain of the eta-carbonic anhydrase from Plasmodium falciparum (96 visite)
J Enzyme Inhib Med Chem (ISSN: 1475-6374electronic, 1475-6366linking), 2016 Jun; 31(sup4): 54-59.
Impact Factor: 4.293
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Langella E, D'Ambrosio K, D'Ascenzio M, Carradori S, Monti SM, Supuran CT, De Simone G
* A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases (115 visite)
Chemistry (ISSN: 1521-3765electronic, 0947-6539linking), 2016 Jan 4; 22(1): 97-100.
Impact Factor: 5.317
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Mishra CB, Kumari S, Angeli A, Monti SM, Buonanno M, Prakash A, Tiwari M, Supuran CT
* Design, synthesis and biological evaluation of N-(5-methyl-isoxazol-3-yl/1, 3, 4-thiadiazol-2-yl)-4-(3-substitutedphenylureido) benzenesulfonamides as human carbonic anhydrase isoenzymes I, II, VII and XII inhibitors (90 visite)
J Enzyme Inhib Med Chem, 2016; 17: 1-6.
Impact Factor: 3.428
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Mollica A, Locatelli M, Macedonio G, Carradori S, Sobolev AP, De Salvador RF, Monti SM, Buonanno M, Zengin G, Angeli A, Supuran CT
* Microwave-assisted extraction, HPLC analysis, and inhibitory effects on carbonic anhydrase I, II, VA, and VII isoforms of 14 blueberry Italian cultivars (101 visite)
J Enzyme Inhib Med Chem, 2016; 31(sup4): N/D-N/D.
Impact Factor: 3.428
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Pica A, Chi M-C, Chen Y-Y, D'Ischia M, Lin L-L, Merlino A
* The maturation mechanism of γ-glutamyl transpeptidases: Insights from the crystal structure of a precursor mimic of the enzyme from Bacillus licheniformis and from site-directed mutagenesis studies (98 visite)
Biochim Biophys Acta (ISSN: 1570-9639, 0925-4439, 0006-3002), 2016; 1864(2): 195-203.
Impact Factor: 2.773
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La Regina G, Coluccia A, Famiglini V, Pelliccia S, Monti L, Vullo D, Nuti E, Alterio V, De Simone G, Monti SM, Pan P, Parkkila S, Supuran CT, Rossello A, Silvestri R
* Discovery of 1, 1'-Biphenyl-4-sulfonamides as a New Class of Potent and Selective Carbonic Anhydrase XIV Inhibitors (131 visite)
J Med Chem (ISSN: 1520-4804electronic, 0022-2623linking, 0022-2623print), 2015 Nov 12; 58(21): 8564-8572.
Impact Factor: 5.589
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Di Fiore A, Vergara A, Caterino M, Alterio V, Monti SM, Ombouma J, Dumy P, Vullo D, Supuran CT, Winum JY, De Simone G
* Hydroxylamine-O-sulfonamide is a versatile lead compound for the development of carbonic anhydrase inhibitors (147 visite) (PDF 134 visite)
Chem Commun (ISSN: 1364-548xelectronic, 1359-7345linking), 2015 Jul 2; 51(57): 11519-11522.
Impact Factor: 6.567
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De Simone G, Monti SM, Alterio V, Buonanno M, De Luca V, Rossi M, Carginale V, Supuran CT, Capasso C, Di Fiore A
* Crystal structure of the most catalytically effective carbonic anhydrase enzyme known, SazCA from the thermophilic bacterium Sulfurihydrogenibium azorense (109 visite)
Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2015 May 1; 25(9): 2002-2006.
Impact Factor: 2.486
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Alterio V, Tanc M, Ivanova J, Zalubovskis R, Vozny I, Monti SM, Di Fiore A, De Simone G, Supuran CT
* X-ray crystallographic and kinetic investigations of 6-sulfamoyl-saccharin as a carbonic anhydrase inhibitor (149 visite)
Org Biomol Chem (ISSN: 1477-0539electronic, 1477-0520linking), 2015 Apr 7; 13(13): 4064-4069.
Impact Factor: 3.559
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De Simone G, Di Fiore A, Capasso C, Supuran CT
* The zinc coordination pattern in the eta-carbonic anhydrase from Plasmodium falciparum is different from all other carbonic anhydrase genetic families (233 visite)
Bioorg Med Chem Lett (ISSN: 1464-3405electronic, 0960-894xlinking), 2015 Apr 1; 25(7): 1385-1389.
Impact Factor: 2.486
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Alterio V, Langella E, De Simone G, Monti SM
* Cadmium-containing carbonic anhydrase CDCA1 in marine diatom Thalassiosira weissflogii (161 visite)
Marine Drugs (ISSN: 1660-3397electronic, 1660-3397linking), 2015 Apr; 13(4): 1688-1697.
Impact Factor: 3.345
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Monti SM, Supuran CT,  De Simone G
* DPP-4 inhibitors: a patent review (2012 - 2014) (108 visite)
Expert Opinion On Therapeutic Patents (ISSN: 1354-3776, 1744-7674electronic, 1354-3776linking), 2015 Feb; 25(2): 209-236.
Impact Factor: 4.626
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Supuran CT, Capasso C, De Simone G
* Carbonic Anhydrase II as Target for Drug Design (105 visite)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 51-90.
Impact Factor: 0
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Monti SM, Supuran CT, De Simone G, Di Fiore A
* Carbonic Anhydrase VII (81 visite)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 151-168.
Impact Factor: 0
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Supuran CT, De Simone G
Carbonic Anhydrases: An Overview (90 visite)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 3-13.
Impact Factor: 0
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D'Ambrosio K, De Simone G, Supuran CT
* Human Carbonic Anhydrases: Catalytic Properties, Structural Features, and Tissue Distribution (95 visite)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 17-30.
Impact Factor: 0
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D'Ambrosio K, Carradori S, Monti SM, Buonanno M, Secci D, Vullo D, Supuran CT, De Simone G
* Out of the active site binding pocket for carbonic anhydrase inhibitors (157 visite) (PDF 134 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jan 7; 51(2): 302-305.
Impact Factor: 6.567
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Ceruso M, Carta F, Osman SM, Alothman Z, Monti SM, Supuran CT
* Inhibition studies of bacterial, fungal and protozoan β-class carbonic anhydrases with Schiff bases incorporating sulfonamide moieties (134 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2015; 23(15): 4181-4187.
Impact Factor: 2.923
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Messori L, Marzo T, Merlino A
* Interactions of carboplatin and oxaliplatin with proteins: Insights from X-ray structures and mass spectrometry studies of their ribonuclease A adducts (98 visite)
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2015; N/D: N/D-N/D.
Impact Factor: 3.205
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Iqbal J, Al-rashida M, Durdagi S, Alterio V, Di Fiore A
* Recent developments of carbonic anhydrase inhibitors as potential drugs (124 visite)
Biomed Res Int (ISSN: 2314-6133, 2314-6141, 2314-6141electronic), 2015; 2015: 174178-174178.
Impact Factor: 2.134
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Di Fiore A, Alterio V, Monti SM, De Simone G, D’Ambrosio K
* Thermostable carbonic anhydrases in biotechnological applications (139 visite)
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2015; 16(7): 15456-15480.
Impact Factor: 3.257
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D'Ambrosio K, Lopez M, Dathan NA, Ouahrani-bettache S, Köhler S, Ascione G, Monti SM, Winum JY, De Simone G
* Structural basis for the rational design of new anti-Brucella agents: The crystal structure of the C366S mutant of l-histidinol dehydrogenase from Brucella suis (149 visite)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2014 Feb; 97(1): 114-120.
Impact Factor: 2.963
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Dathan NA, Alterio V, Troiano E, Vullo D, Ludwig M, De Simone G, Supuran CT, Monti SM
* Biochemical Characterization Of The Chloroplastic β-Carbonic Anhydrase From Flaveria Bidentis (l. ) "kuntze" (132 visite)
J Enzyme Inhib Med Chem (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2014; 29(4): 500-504.
Impact Factor: 2.332
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De Simone G, Pizika G, Monti SM, Di Fiore A, Ivanova J, Vozny I, Trapencieris P, Zalubovskis R, Supuran CT, Alterio V
* Hydrophobic substituents of the phenylmethylsulfamide moiety can be used for the development of new selective carbonic anhydrase inhibitors (118 visite)
Biomed Res Int (ISSN: 2314-6133, 2314-6141, 2314-6141electronic), 2014; 2014: 523210-523210.
Impact Factor: 1.579
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Alterio V, Pan P, Parkkila S, Buonanno M, Supuran CT, Monti SM, De Simone G
* The Structural Comparison Between Membrane-Associated Human Carbonic Anhydrases Provides Insights Into Drug Design Of Selective Inhibitors (134 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014; 101(7): 769-778.
Impact Factor: 2.385
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Alterio V, Monti SM, De Simone G
* Thermal-stable carbonic anhydrases: a structural overview (157 visite)
Subcell Biochem (ISSN: 0306-0225), 2014; 75: 387-404.
Impact Factor: 33.116
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Rami M, Dubois L, Parvathaneni NK, Alterio V, van Kuijk SJ, Monti SM, Lambin P, De Simone G, Supuran CT, Winum JY
* Hypoxia-targeting carbonic anhydrase IX inhibitors by a new series of nitroimidazole-sulfonamides/sulfamides/sulfamates (181 visite)
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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Di Salle F, Cantone E, Savarese MF, Aragri A, Prinster A, Nicolai E, Sarnelli G, Iengo M, Buyckx M, Cuomo R
* Effect Of Carbonation On Brain Processing Of Sweet Stimuli In Humans (111 visite)
Gastroenterology (ISSN: 0016-5085), 2013 Sep; 145(3): 537-539.
Impact Factor: 18.392
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Ronda L, Merlino A, Bettati S, Verde C, Balsamo A, Mazzarella L, Mozzarelli A, Vergara A
* Role of tertiary structures on the Root effect in fish hemoglobins (132 visite)
Biochim Biophys Acta (ISSN: 1570-9639, 0006-3002, 0925-4439), 2013 Sep; 1834(9): 1885-1893.
Impact Factor: 3.191
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Monti SM, Supuran CT, De Simone G
* Anticancer carbonic anhydrase inhibitors: A patent review (2008-2013) (146 visite)
Expert Opinion On Therapeutic Patents (ISSN: 1354-3776, 1744-7674electronic), 2013 Jun; 23(6): 737-749.
Impact Factor: 3.441
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Di Fiore A, Capasso C, De Luca V, Monti SM, Carginale V, Supuran CT, Scozzafava A, Pedone C, Rossi M, De Simone G
* X-ray structure of the first 'extremo-alpha-carbonic anhydrase', a dimeric enzyme from the thermophilic bacterium Sulfurihydrogenibium yellowstonense YO3AOP1 (120 visite)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jun; 69(6): 1150-1159.
Impact Factor: 7.232
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Monti SM, De Simone G, Dathan NA, Ludwig M, Vullo D, Scozzafava A, Capasso C, Supuran CT
* Kinetic And Anion Inhibition Studies Of A Beta-Carbonic Anhydrase (fbica 1) From The C-4 Plant Flaveria Bidentis (143 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x), 2013 Mar 15; 23(6): 1626-1630.
Impact Factor: 2.331
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Giallauria F, Acampa W, Ricci F, Vitelli A, Torella G, Lucci R, Del Prete G, Zampella E, Assante R, Rengo G, Leosco D, Cuocolo A, Vigorito C
* Exercise training early after acute myocardial infarction reduces stress-induced hypoperfusion and improves left ventricular function (155 visite)
Eur J Nucl Med (ISSN: 1619-7070, 1619-7089, 0340-6997), 2013 Feb; 40(3): 315-324.
Impact Factor: 5.217
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Buanne P, Renzone G, Monteleone F, Vitale M, Monti SM, Sandomenico A, Garbi C, Montanaro D, Accardo M, Troncone G, Zatovicova M, Csaderova L, Supuran CT, Pastorekova S, Scaloni A, De Simone G, Zambrano N
* Characterization of carbonic anhydrase ix interactome reveals proteins assisting its nuclear localization in hypoxic cells (123 visite)
J Proteome Res (ISSN: 1535-3893), 2013 Jan; 12(1): 282-292.
Impact Factor: 5.001
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Del Giudice R, Monti DM, Truppo E, Arciello A, Supuran CT, De Simone G, Monti SM
* Human Carbonic Anhydrase Vii Protects Cells From Oxidative Damage (122 visite)
Biol Chem Biological Chemistry (ISSN: 1431-6730, 1431-1673, 1437-4315), 2013; 394(10): 1343-1348.
Impact Factor: 2.689
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Giallauria F, Acampa W, Ricci F, Gallicchio R, Xhoxhi E, Vitelli A, D'Agostino M, Lucci R, Vigorito C, Cuocolo A
* Effects of exercise training started within 2 weeks after acute myocardial infarction on myocardial perfusion and left ventricular function: A gated SPECT imaging study (159 visite)
Eur J Prev Cardiol (ISSN: 2047-4873, 2047-4881), 2012 Dec; 19(6): 1410-1419.
Impact Factor: 2.675
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Alterio V, Di Fiore A, D'Ambrosio K, Supuran CT, De Simone G
* Multiple binding modes of inhibitors to carbonic anhydrases: How to design specific drugs targeting 15 different isoforms? (145 visite)
Chemical Reviews (ISSN: 0009-2665), 2012 Sep; 112(8): 4421-4468.
Impact Factor: 41.298
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De Simone G, Supuran CT
* (In)organic anions as carbonic anhydrase inhibitors (134 visite)
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2012 Jun; 111: 117-129.
Impact Factor: 3.197
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Alterio V, Langella E, Viparelli F, Vullo D, Ascione G, Dathan NA, Morel FM, Supuran CT, De Simone G, Monti SM
* Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii (151 visite)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 May; 94(5): 1232-1241.
Impact Factor: 3.142
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Zannetti A, Iommelli F, Speranza A, Salvatore M, Del Vecchio S
* 3'-deoxy-3'-18F-fluorothymidine (FLT) PET/CT to guide therapy with epidermal growth factor receptor (EGFR) antagonists and Bcl-xL inhibitors in non-small cell lung cancer (237 visite)
J Nucl Med (ISSN: 0161-5505, 1535-5667, 1535-5667electronic), 2012 Mar 1; 53(3): 443-450.
Impact Factor: 5.774
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Zannetti A, Iommelli F, Speranza A, Salvatore M, Del Vecchio S
* 3'-deoxy-3'-18F-fluorothymidine PET/CT to guide therapy with epidermal growth factor receptor antagonists and Bcl-xL inhibitors in non-small cell lung cancer (175 visite)
J Nucl Med (ISSN: 1535-5667, 0161-5505, 1535-5667electronic), 2012 Mar 1; 53(3): 443-450.
Impact Factor: 5.774
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Russo Krauss I, Sica F, Mattia CA, Merlino A
* Increasing the X-ray diffraction power of protein crystals by dehydration: the case of bovine serum albumin and a survey of literature data (138 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2012 Mar; 13(3): 3782-3800.
Impact Factor: 2.464
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Truppo E, Supuran CT, Sandomenico A, Vullo D, Innocenti A, Di Fiore A, Alterio V, De Simone G, Monti SM
* Carbonic anhydrase VII is S-glutathionylated without loss of catalytic activity and affinity for sulfonamide inhibitors (102 visite)
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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Monti SM, Supuran CT, De Simone G
* Carbonic anhydrase IX as a target for designing novel anticancer drugs (185 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2012 Feb; 19(6): 821-830.
Impact Factor: 4.07
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Esposito L, Ruggiero A, Masullo M, Ruocco MR, Lamberti A, Arcari P, Zagari A, Vitagliano L
* Crystallographic and spectroscopic characterizations of Sulfolobus solfataricus TrxA1 provide insights into the determinants of thioredoxin fold stability (118 visite)
Journal Of Structural Biology (ISSN: 1047-8477), 2012 Feb; 177(2): 506-512.
Impact Factor: 3.361
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De Simone G
* Editorial: Zinc Metallo-Enzymes As Target For Drug Design (116 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2012 Feb; 19(6): 820-1012.
Impact Factor: 4.07
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Monti SM, Maresca A, Viparelli F, Carta F, De Simone G, Muehlschlegel FA, Scozzafava A, Supuran CT
* Dithiocarbamates are strong inhibitors of the beta-class fungal carbonic anhydrases from Cryptococcus neoformans, Candida albicans and Candida glabrata (121 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x), 2012 Jan 15; 22(2): 859-862.
Impact Factor: 2.338
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D'Ambrosio K, Smaine F-Z, Carta F, De Simone G, Winum J-Y, Supuran CT
* Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups (134 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012; 55(15): 6776-6783.
Impact Factor: 5.614
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Sorriento D, Santulli G, Del Giudice C, Anastasio A, Trimarco B, Iaccarino G
* Endothelial cells are able to synthesize and release catecholamines both in vitro and in vivo (116 visite)
Hypertensionhypertension (ISSN: 0194-911x), 2012; 60(1): 129-136.
Impact Factor: 6.873
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Di Fiore A, Maresca A, Supuran CT, De Simone G
* Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors (101 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2012; 48(70): 8838-8840.
Impact Factor: 6.378
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Merlino A, Russo Krauss I, Albino A, Pica A, Vergara A, Masullo M, De Vendittis E, Sica F
* Improving Protein Crystal Quality by the Without-Oil Microbatch Method: Crystallization and Preliminary X-ray Diffraction Analysis of Glutathione Synthetase from Pseudoalteromonas haloplanktis (137 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067electronic), 2011 Sep; 12(9): 6312-6319.
Impact Factor: 2.598
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Caraci F, Molinaro G, Battaglia G, Giuffrida ML, Riozzi B, Traficante A, Bruno V, Cannella M, Merlo S, Wang X, Heinz BA, Nisenbaum ES, Britton TC, Drago F, Sortino MA, Copani A, Nicoletti F
* Targeting group II Metabotropic Glutamate (mGlu) receptors for the treatment of psychosis associated with alzheimer's disease: Selective activation of mGlu2 receptors amplifies β-amyloid toxicity in cultured neurons, whereas dual activation of mGlu2 and mGlu3 receptors is neuroprotective (267 visite)
Mol Pharmacol (ISSN: 0026-895x), 2011 Mar; 79(3): 618-626.
Impact Factor: 4.883
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Di Fiore A, Maresca A, Alterio V, Supuran CT, De Simone G
* Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of N-substituted benzenesulfonamides to human isoform II (109 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2011; 47(42): 11636-11638.
Impact Factor: 6.169
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Avila FF, Improta R, Santoro F, Barone V
* Computing the inhomogeneous broadening of electronic transitions in solution: A first-principle quantum mechanical approach (92 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2011; 13(38): 17007-17012.
Impact Factor: 3.573
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Viparelli F, Monti SM, De Simone G, Innocenti A, Scozzafava A, Xu Y, Morel FMM, Supuran CT
* Inhibition Of The R1 Fragment Of The Cadmium-Containing Zeta-Class Carbonic Anhydrase From The Diatom Thalassiosira Weissflogii With Anions (134 visite)
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Sep 15; 20(16): 4745-4748.
Impact Factor: 2.661
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Moccia M, Roviello GN, Bucci EM, Pedone C, Saviano M
* Synthesis of a l-lysine-based alternate alpha, epsilon-peptide: A novel linear polycation with nucleic acids-binding ability (135 visite)
Int J Pharm (ISSN: 0378-5173, 1873-3476), 2010 Sep 15; 397(1-2): 179-183.
Impact Factor: 3.607
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Alterio V, Monti SM, Truppo E, Pedone C, Supuran CT, De Simone G
* The first example of a significant active site conformational rearrangement in a carbonic anhydrase-inhibitor adduct: The carbonic anhydrase I-topiramate complex (126 visite)
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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Di Fiore A, Truppo E, Supuran CT, Alterio V, Dathan N, Bootorabi F, Parkkila S, Monti SM, De Simone G
* Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide (98 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x), 2010 Sep 1; 20(17): 5023-5026.
Impact Factor: 2.661
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Di Fiore A, Monti SM, Innocenti A, Winum J-Y, De Simone G, Supuran CT
* Carbonic anhydrase inhibitors: Crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV (100 visite)
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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De Simone G, Supuran CT
* Carbonic anhydrase IX: Biochemical and crystallographic characterization of a novel antitumor target (161 visite)
Biochim Biophys Acta (ISSN: 1570-9639, 0006-3002, 0925-4439), 2010 Feb; 1804(2): 404-409.
Impact Factor: 2.773
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Guler OO, De Simone G, Supuran CT
* Drug design studies of the novel antitumor targets carbonic anhydrase IX and XII (201 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2010; 17(15): 1516-1526.
Impact Factor: 4.63
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Supuran CT, Di Fiore A, Alterio V, Monti SM, De Simone G
* Recent advances in structural studies of the carbonic anhydrase family: The crystal structure of human CA IX and CA XIII (120 visite)
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2010; 16(29): 3246-3254.
Impact Factor: 4.774
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Merlino A, Vitagliano L, Howes BD, Verde C, Di Prisco G, Smulevich G, Sica F, Vergara A
* Combined Crystallographic and Spectroscopic Analysis of Trematomus bernacchii Hemoglobin Highlights Analogies and Differences in the Peculiar Oxidation Pathway of Antarctic Fish Hemoglobins (121 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1117-1125.
Impact Factor: 2.605
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Ruggiero A, Masullo M, Marasco D, Ruocco MR, Grimaldi P, Arcari P, Zagari A, Vitagliano L
* The dimeric structure of Sulfolobus solfataricus thioredoxin A2 and the basis of its thermostability (99 visite)
Proteins (ISSN: 0887-3585, 1097-0134, 1097-0134electronic), 2009 Dec; 77(4): 1004-1008.
Impact Factor: 3.085
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Innocenti A, Pastorekova S, Pastorek J, Scozzafava A, De Simone G, Supuran CT
* The proteoglycan region of the tumor-associated carbonic anhydrase isoform IX acts as anintrinsic buffer optimizing CO2 hydration at acidic pH values characteristic of solid tumors (84 visite)
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2009 Oct 15; 19(20): 5825-5828.
Impact Factor: 2.65
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Vitale RM, Alterio V, Innocenti A, Winum JY, Monti SM, De Simone G, Supuran CT
* Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis- sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors (165 visite)
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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Alterio V, Hilvo M, Di Fiore A, Supuran CT, Pan P, Parkkila S, Scaloni A, Pastorek J, Pastorekova S, Pedone C, Scozzafava A, Monti SM, De Simone G
* Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX (203 visite)
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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De Simone G, Scozzafava A, Supuran CT
* Which Carbonic Anhydrases are Targeted by the Antiepileptic Sulfonamides and Sulfamates? (113 visite)
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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Wekselman I, Davidovich C, Agmon I, Zimmerman E, Rozenberg H, Bashan A, Berisio R, Yonath A
* Ribosome's mode of function: Myths, facts and recent results (111 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 122-130.
Impact Factor: 1.807
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Roviello GN, Musumeci D, Castiglione M, Bucci EM, Pedone C, Benedetti E
* Solid Phase Synthesis And Rna-Binding Studies Of A Serum-Resistant Nucleo-Epsilon-Peptide (101 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 155-160.
Impact Factor: 1.807
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Di Fiore A, Monti SM, Hilvo M, Parkkila S, Romano V, Scaloni A, Pedone C, Scozzafava A, Supuran CT, De Simone G
* Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide (105 visite)
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Jan; 74(1): 164-175.
Impact Factor: 3.085
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Hilvo M, De Simone G, Supuran CT, Parkkila S
* Advances in the Inhibitory and Structural Investigations on Carbonic Anhydrase Isozymes XIII and XV (111 visite)
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; N/D: 273-283.
Impact Factor: 1.156
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De Simone G, Supuran CT
* Drug Design of Antiobesity Carbonic Anhydrase Inhibitors (126 visite)
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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Alterio V, Di Fiore A, D'Ambrosio K, Supuran CT, De Simone G
* X-Ray Crystallography of Carbonic Anhydrase Inhibitors and Its Importance in Drug Design (124 visite)
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; N/D: 73-138.
Impact Factor: 1.156
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Hilvo M, Baranauskiene L, Salzano AM, Scaloni A, Matulis D, Innocenti A, Scozzafava A, Monti SM, Di Fiore A, De Simone G, Lindfors M, Janis J, Valjakka J, Pastorekova S, Pastorek J, Kulomaa MS, Nordlund HR, Supuran CT, Parkkila S
* Biochemical characterization of CA IX, one of the most active carbonic anhydrase isozymes (139 visite)
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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Woo LWL, Fischer DS, Sharland CM, Trusselle M, Foster PA, Chander SK, Di Fiore A, Supuran CT, De Simone G, Purohit A, Reed MJ, Potter BVL
* Anticancer steroid sulfatase inhibitors: synthesis of a potent fluorinated second-generation agent, in vitro and in vivo activities, molecular modeling, and protein crystallography (124 visite)
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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Merlino A, Sica F, Mazzarella L, Zagari A, Vergara A
* Correlation between Raman and X-ray crystallography data of (Pro-Pro-Gly)(10) (105 visite)
Biophys Chem (ISSN: 0301-4622, 0301-4622linking), 2008 Sep; 137(1): 24-27.
Impact Factor: 2.362
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D'Ambrosio K, Vitale R, Dogne J, Masereel B, Innocenti A, Scozzafava A, De Simone G, Supuran CT
* Ccarbonic Anhydrase Inhibitors: Bioreductive Nitro-Containing Sulfonamides With Selectivity For Targeting The Tumor Associated Isoforms Ix And Xii (145 visite)
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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Supuran CT, Di Fiore A, De Simone G
* Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity (132 visite)
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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Di Fiore A, Pedone C, Antel J, Waldeck H, Witte A, Wurl M, Scozzafava A, Supuran CT, De Simone G
* Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors (109 visite)
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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Innocenti A, Scozzafava A, Parkkila S, Puccetti L, De Simone G, Supuran CT
* Investigations of the esterase, phosphatase, and sulfatase activities of the cytosolic mammalian carbonic anhydrase isoforms I, II, and XIII with 4-nitrophenyl esters as substrates (82 visite)
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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Leese MP, Jourdan FL, Gaukroger K, Mahon MF, Newman SP, Foster PA, Stengel C, Regis-Lydi S, Ferrandis E, Di Fiore A, De Simone G, Supuran CT, Purohit A, Reed MJ, Potter BVL
* Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents (130 visite)
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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De Simone G, Di Fiore A, Supuran CT
* Are carbonic anhydrase inhibitors suitable for obtaining antiobesity drugs? (122 visite)
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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D'Ambrosio K, Masereel B, Thiry A, Scozzafava A, Supuran CT, De Simone G
* Carbonic anhydrase inhibitors: Binding of indanesulfonamides to the human isoform II (155 visite)
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2008 Mar; 3(3): 473-477.
Impact Factor: 3.15
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Supuran CT, De Simone G
Carbonic anhydrases--an overview (114 visite)
Curr Pharm Des, 2008; 14(7): 603-614.
Impact Factor: 0
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Hilvo M, Innocenti A, Monti SM, De Simone G, Supuran CT, Parkkila S
* Recent advances in research on the most novel carbonic anhydrases, CA XIII and XV (113 visite)
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2008; 14(7): 672-678.
Impact Factor: 4.399
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Improta R, Scalmani G, Frisch MJ, Barone V
* Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach (90 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D.
Impact Factor: 3.044
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Alterio V, De Simone G, Monti SM, Scozzafava A, Supuran CT
* Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1, 3-disulfonamides-Solution and crystallographic studies (117 visite)
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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Vitale RM, Pedone C, Amodeo P, Antel J, Wurl M, Scozzafava A, Supuran CT, De Simone G
* Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA (122 visite)
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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Santoro F, Lami A, Improta R, Barone V
* Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution (88 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 May 14; 126(18): 184102-184102.
Impact Factor: 3.044
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Di Fiore A, Scozzafava A, Winum JY, Montero JL, Pedone C, Supuran CT, De Simone G
* Carbonic anhydrase inhibitors: binding of an antiglaucoma glycosyl-sulfanilamide derivative to human isoform II and its consequences for the drug design of enzyme inhibitors incorporating sugar moieties (126 visite)
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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Santoro F, Improta R, Lami A, Bloino J, Barone V
* Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution (94 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Feb 28; 126(8): 084509-084509.
Impact Factor: 3.044
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Galdiero S, Galdiero M, Pedone C
* Beta-Barrel Membrane Bacterial Proteins: Structure, Function, Assembly And Interaction With Lipids (103 visite)
Curr Protein Pept Sci (ISSN: 1389-2037), 2007 Feb; 8(1): 63-82.
Impact Factor: 3.259
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Ronga L, Palladino P, Costantini S, Facchiano A, Ruvo M, Benedetti E, Ragone R, Rossi F
* Conformational diseases and structure-toxicity relationships: Lessons from prion-derived peptides (143 visite)
Curr Protein Pept Sci (ISSN: 1389-2037), 2007 Feb; 8(1): 83-90.
Impact Factor: 3.259
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Improta R, Barone V, Santoro F
* Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 (96 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2007; 46(3): 405-408.
Impact Factor: 10.031
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De Simone G, Supuran CT
* Antiobesity carbonic anhydrase inhibitors (158 visite)
Curr Top Med Chem (ISSN: 1568-0266, 1568-0266linking, 1873-4294electronic), 2007; 7(9): 879-884.
Impact Factor: 4.325
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Leese MP, Leblond B, Smith A, Newman SP, Di Fiore A, De Simone G, Supuran CT, Purohit A, Reed MJ, Potter BVL
* 2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity (308 visite)
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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Menchise V, De Simone G, Di Fiore A, Scozzafava A, Supuran CT
* Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1, 3, 4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)1, 3, 4-thiadiazole-2-sulfon amide to human isoform II (109 visite)
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Dec 15; 16(24): 6204-6208.
Impact Factor: 2.538
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Roviello GN, Moccia M, Sapio R, Valente M, Bucci EM, Castiglione M, Pedone C, Perretta G, Benedetti E, Musumeci D
* Synthesis, Characterization And Hybridization Studies Of New Nucleo-Gamma-Peptides Based On Diaminobutyric Acid (138 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Dec; 12(12): 829-835.
Impact Factor: 1.801
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Improta R, Barone V, Scalmani G, Frisch MJ
* A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution (102 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.
Impact Factor: 3.166
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De Simone G, Vitale RM, Di Fiore A, Pedone C, Scozzafava A, Montero JL, Winum JY, Supuran CT
* Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX (142 visite)
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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Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT
* Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX (120 visite)
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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Di Fiore A, Pedone C, D'Ambrosio K, Scozzafava A, De Simone G, Supuran CT
* Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II 'selective' inhibitor celecoxib (115 visite)
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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Grasso G, D'Agata R, Rizzarelli E, Spoto G, D'Andrea LD, Pedone C, Picardi A, Romanelli A, Fragai M, Yeo KJ
* Activity of anchored human matrix metalloproteinase-1 catalytic domain on Au(111) surfaces monitored by ESI-MS (107 visite)
J Mass Spectrom Journal Of Mass Spectrometry (ISSN: 1076-5174, 1096-9888), 2005 Dec; 40(12): 1565-1571.
Impact Factor: 3.574
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De Luca S, Della Moglie R, De Capua A, Morelli G
* New synthetic strategy for o-NBS protected amino acids and their use in synthesis of mono-benzylated peptides (144 visite)
Tetrahedron Lett (ISSN: 0040-4039), 2005 Sep 26; 46(39): 6637-6640.
Impact Factor: 2.477
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Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT
* Carbonic anhydrase inhibitors: Stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II (141 visite)
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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De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT
* Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies (117 visite)
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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Di Fiore A, De Simone G, Menchise V, Pedone C, Casini A, Scozzafava A, Supuran CT
* Carbonic anhydrase inhibitors: X-ray crystal structure of a benzenesulfonamide strong CA II and CA IX inhibitor bearing a pentafluorophenylaminothioureido tail in complex with isozyme II (146 visite)
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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Esposito L, Sica F, Raia CA, Giordano A, Rossi M, Mazzarella L, Zagari A
* Crystal Structure Of The Alcohol Dehydrogenase From The Hyperthermophilic Archaeon Sulfolobus Solfataricus At 1. 85 Angstrom Resolution (121 visite)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2002 Apr 26; 318(2): 463-477.
Impact Factor: 5.359
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Ambrosino P, Fresa R, Fogliano V, Monti SM, Ritieni A
Extraction of azadirachtin a from neem seed kernels by supercritical fluid and its evaluation by HPLC and LC/MS (137 visite)
J Agric Food Chem (ISSN: 0021-8561), 1999 Dec; 47(12): 5252-5256.
Impact Factor: 1.453
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Fonti R, Latella G, Caprilli R, Frieri G, Marcheggiano A, Sambuy Y
Carbonic anhydrase I reduction in colonic mucosa of patients with active ulcerative colitis (80 visite)
Digestive Diseases And Sciences (ISSN: 0163-2116), 1998; 43(9): 2086-2092.
Impact Factor: 1.972
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138 Records (133 escludendo Abstract e Conferenze).
Impact factor totale: 594.521 (577.108 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 575.412 (557.637 escludendo Abstract e Conferenze).







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Ultima modifica di Giuseppina De Simone in data Monday 06 July 2015, 15:10:59
160 visite. Ultima visita in data Tuesday 19 February 2019, 18:34:43

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Ultimo aggiornamento: Wednesday 20 February 2019, 11:48:26