Exploiting the hydrophobic and hydrophilic binding sites for designing carbonic anhydrase inhibitors
CNR Ibb | back to homepage
▲NavBar
Ricerca avanzata▼
Contiene: [X]      Estesa     Autori: [X]  Tipo di lavoro: [X]   Data iniziale: Data finale: [X]      Sede: Affiliazione IBB     
    
[Pulisci modulo]


Exploiting the hydrophobic and hydrophilic binding sites for designing carbonic anhydrase inhibitors (189 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


Riferimenti:

Alterio, V., Di Fiore, A., D'Ambrosio, K., Multiple binding modes of inhibitors to carbonic anhydrases: How to design specific drugs targeting 15 different isoforms? (2012) Chem Rev, 112, pp. 4421-446

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

Ogawa, T., Noguchi, K., Saito, M., Carbonyl sulfide hydrolase from Thiobacillus thioparus strain THI115 is one of the b-carbonic anhydrase family enzymes (2013) J Am Chem Soc, 135, pp. 3818-3825

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

Xu, Y., Feng, L., Jeffrey, P.D., Structure and metal exchange in the cadmium carbonic anhydrase of marine diatoms (2008) Nature, 452, pp. 56-61

Neri, D., Supuran, C.T., Interfering with pH regulation in tumours as a therapeutic strategy (2011) Nat Rev Drug Discov, 10, pp. 767-777

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

Bertucci, A., Moya, A., Tambutté, S., Carbonic anhydrases in anthozoan corals-A review (2013) Bioorg Med Chem, 21, pp. 1437-1450

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

Alterio, V., Langella, E., Viparelli, F., Structural and inhibition insights into carbonic anhydrase CDCA1 from the marine diatom Thalassiosira weissflogii (2012) Biochimie, 94, pp. 1232-1241

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

Aggarwal, M., McKenna, R., Update on carbonic anhydrase inhibitors: A patent review 2008-2011) (2012) Expert Opin Ther Pat, 22, pp. 903-915

De Simone, G., Supuran, C.T., (In)organic anions as carbonic anhydrase inhibitors (2012) J Inorg Biochem, 111, pp. 117-129

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

Schlicker, C., Hall, R.A., Vullo, D., Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans (2009) J Mol Biol, 385, pp. 1207-1220

Pacchiano, F., Carta, F., Vullo, D., Inhibition of beta-carbonic anhydrases with ureido-substituted benzenesulfonamides (2010) Bioorg Med Chem Lett, 20, pp. 102-105

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

Briganti, F., Mangani, S., Orioli, P., Carbonic anhydrase activators: X-ray crystallographic and spectroscopic investigations for the interaction of isozymes i and II with histamine (1997) Biochemistry, 36, pp. 10384-10392

Temperini, C., Scozzafava, A., Vullo, D., Carbonic anhydrase activators. Activation of isozymes I, II, IV, VA, VII and XIV with L-and D-histidine and crystallographic analysis of their adducts with isoform II: Engineering proton transfer processes within the active site of an enzyme (2006) Chemistry (Easton), 12, pp. 7057-7066

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

Alterio, V., Hilvo, M., Di Fiore, A., Crystal structure of the extracellular catalytic domain of the tumor-associated human carbonic anhydrase IX (2009) Proc Natl Acad Sci USA, 106, pp. 16233-16238

Di Fiore, A., Monti, S.M., Hilvo, M., Crystal structure of human carbonic anhydrase XIII and its complex with the inhibitor acetazolamide (2009) Proteins, 74, pp. 164-175

Di Fiore, A., Truppo, E., Supuran, C.T., Crystal structure of the C183S/C217S mutant of human CA VII in complex with acetazolamide (2010) Bioorg Med Chem Lett, 20, pp. 5023-5026

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

Whittington, D.A., Grubb, J.H., Waheed, A., Expression, assay, and structure of the extracellular domain of murine carbonic anhydrase XIV: Implications for selective inhibition of membrane-associated isozymes (2004) J Biol Chem, 279, pp. 7223-7228

Aggarwal, M., Boone, C.D., Kondeti, B., McKenna, R., Structural annotation of human carbonic anhydrases (2013) J Enzyme Inhib Med Chem, 28, pp. 267-277

Liljas, A., Kannan, K.K., Bergstén, P.C., Crystal structure of human carbonic anhydrase C (1972) Nat New Biol, 235, pp. 131-137

Peña, 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

Weber, A., Casini, A., Heine, A., Unexpected nanomolar inhibition of carbonic anhydrase by COX-2 selective celecoxib: New pharmacological opportunities due to related binding site recognition (2004) J Med Chem, 47, pp. 550-557

Di Fiore, A., Pedone, C., D'Ambrosio, K., 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 (2006) Bioorg Med Chem Lett, 16, pp. 437-442

Kohler, K., Hillebrecht, A., Schulze Wischeler, J., Saccharin inhibits carbonic anhydrases: Possible explanation for its unpleasant metallic aftertaste (2007) Angew Chem Int Ed Engl, 46, pp. 7697-7699

Hilvo, M., Innocenti, A., Monti, S.M., Recent advances in research on the most novel carbonic anhydrases, CA XIII and XV (2008) Curr Pharm des, 14, pp. 672-678

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

Kolayli, S., Karahalil, F., Sahin, H., Characterization and inhibition studies of an a-carbonic anhydrase from the endangered sturgeon species Acipenser gueldenstaedti (2011) J Enzyme Inhib Med Chem, 26, pp. 895-900

Carta, F., Aggarwal, M., Maresca, A., Dithiocarbamates: A new class of carbonic anhydrase inhibitors. Crystallographic and kinetic investigations (2012) Chem Commun (Camb), 48, pp. 1868-1870

Maresca, A., Carta, F., Vullo, D., Supuran, C.T., Dithiocarbamates strongly inhibit the beta-class carbonic anhydrases from Mycobacterium tuberculosis (2013) J Enzyme Inhib Med Chem, 28, pp. 407-411

Pan, P., Vermelho, A.B., Capaci Rodrigues, G., Cloning, characterization, and sulfonamide and thiol inhibition studies of an alpha-carbonic anhydrase from Trypanosoma cruzi, the causative agent of Chagas disease (2013) J Med Chem, 56, pp. 1761-1771

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

Di Fiore, A., Maresca, A., Supuran, C.T., De Simone, G., Hydroxamate represents a versatile zinc binding group for the development of new carbonic anhydrase inhibitors (2012) Chem Commun (Camb), 48, pp. 8838-8840

Scozzafava, A., Supuran, C.T., Carbonic anhydrase and matrix metalloproteinase inhibitors: Sulfonylated amino acid hydroxamates with MMP inhibitory properties act as efficient inhibitors of CA isozymes I, II, and IV, and N-hydroxysulfonamides inhibit both these zinc enzymes (2000) J Med Chem, 43, pp. 3677-3687

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

Carta, F., Temperini, C., Innocenti, A., Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule (2010) J Med Chem, 53, pp. 5511-5522

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

Tars, K., Vullo, D., Kazaks, A., Sulfocoumarins (1, 2-benzoxathiine-2, 2-dioxides): A class of potent and isoform-selective inhibitors of tumor-associated carbonic anhydrases (2013) J Med Chem, 56, pp. 293-300

Maresca, A., Temperini, C., Vu, H., Non-zinc mediated inhibition of carbonic anhydrases: Coumarins are a new class of suicide inhibitors (2009) J Am Chem Soc, 131, pp. 3057-3062

Touisni, N., Maresca, A., McDonald, P.C., Glycosyl coumarin carbonic anhydrase IX and XII inhibitors strongly attenuate the growth of primary breast tumors (2011) J Med Chem, 54, pp. 8271-8277

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

Simonsson, I., Jonsson, B.H., Lindskog, S., Phenol, a competitive inhibitor of CO2 hydration catalyzed by carbonic anhydrase (1982) Biochem Biophys Res Commun, 108, pp. 1406-1412

Buchieri, M.V., Riafrecha, L.E., Rodríguez, 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

Ekinci, D., Karagoz, L., Ekinci, D., Carbonic anhydrase inhibitors: In vitro inhibition of a isoforms (hCA I, hCA II, bCA III, hCA IV) by flavonoids (2013) J Enzyme Inhib Med Chem, 28, pp. 283-288

Sahin, H., Can, Z., Yildiz, O., Inhibition of carbonic anhydrase isozymes i and II with natural products extracted from plants, mushrooms and honey (2012) J Enzyme Inhib Med Chem, 27, pp. 395-402

Lopez, M., Vu, H., Wang, C.K., Promiscuity of carbonic anhydrase II. Unexpected ester hydrolysis of carbohydrate-based sulfamate inhibitors (2011) J Am Chem Soc, 133, pp. 18452-18462

Kazancioǧlu, E.A., Güney, M., Şentürk, M., Supuran, C.T., Simple methanesulfonates are hydrolyzed by the sulfatase carbonic anhydrase activity (2012) J Enzyme Inhib Med Chem, 27, pp. 880-885

Innocenti, A., Supuran, C.T., Paraoxon, 4-nitrophenyl phosphate and acetate are substrates of a-but not of b-, g-and z-carbonic anhydrases (2010) Bioorg Med Chem Lett, 20, pp. 6208-6212

Innocenti, A., Scozzafava, A., Parkkila, S., 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 (2008) Bioorg Med Chem Lett, 18, pp. 2267-2271

Cavdar, H., Ekinci, D., Talaz, O., A-Carbonic anhydrases are sulfatases with cyclic diol monosulfate esters (2012) J Enzyme Inhib Med Chem, 27, pp. 148-154

Carta, F., Maresca, A., Scozzafava, A., Supuran, C.T., 5-and 6-membered (thio) lactones are prodrug type carbonic anhydrase inhibitors (2012) Bioorg Med Chem Lett, 22, pp. 267-270

Huang, S., Hainzl, T., Grundstrom, C., Structural studies of beta-carbonic anhydrase from the green alga Coccomyxa: Inhibitor complexes with anions and acetazolamide (2011) PLoS ONE, 6, pp. e28458

Casini, A., Scozzafava, A., Mincione, F., Carbonic anhydrase inhibitors: Water-soluble 4-sulfamoylphenylthioureas as topical intraocular pressure-lowering agents with long-lasting effects (2000) J Med Chem, 43, pp. 4884-4892

Scozzafava, A., Menabuoni, L., Mincione, F., Supuran, C.T., Carbonic anhydrase inhibitors. A general approach for the preparation of water soluble sulfonamides incorporating polyamino-polycarboxylate tails and of their metal complexes possessing long lasting, topical intraocular pressure lowering properties (2002) J Med Chem, 45, pp. 1466-1476

Fabrizi, F., Mincione, F., Somma, T., A new approach to antiglaucoma drugs: Carbonic anhydrase inhibitors with or without NO donating moieties. Mechanism of action and preliminary pharmacology (2012) J Enzyme Inhib Med Chem, 27, pp. 138-147

Svastová, E., Hulíková, A., Rafajová, 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., Trüssel, S., In vivo targeting of tumor-associated carbonic anhydrases using acetazolamide derivatives (2009) Bioorg Med Chem Lett, 19, pp. 4851-4856

Lou, Y., McDonald, P.C., Oloumi, A., Targeting tumor hypoxia: Suppression of breast tumor growth and metastasis by novel carbonic anhydrase IX inhibitors (2011) Cancer Res, 71, pp. 3364-3376

Carta, F., Supuran, C.T., Scozzafava, A., Novel therapies for glaucoma: A patent review 2007-2011 (2012) Expert Opin Ther Pat, 22, pp. 79-88

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

Mincione, F., Benedini, F., Biondi, S., Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action (2011) Bioorg Med Chem Lett, 21, pp. 3216-3221

Alterio, V., Vitale, R.M., Monti, S.M., Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX (2006) J Am Chem Soc, 128, pp. 8329-8335

Alterio, V., De Simone, G., Monti, S.M., Carbonic anhydrase inhibitors: Inhibition of human, bacterial, and archaeal isozymes with benzene-1, 3-disulfonamides-Solution and crystallographic studies (2007) Bioorg Med Chem Lett, 17, pp. 4201-4207

Wagner, J., Avvaru, B.S., Robbins, A.H., Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: Solution and crystallographic investigations (2010) Bioorg Med Chem, 18, pp. 4873-4878

Biswas, S., Aggarwal, M., Guzel, O., Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms (2011) Bioorg Med Chem, 19, pp. 3732-3738

Pacchiano, F., Aggarwal, M., Avvaru, B.S., Selective hydrophobic pocket binding observed within the carbonic anhydrase II active site accommodate different 4-substituted-ureido- benzenesulfonamides and correlate to inhibitor potency (2010) Chem Commun (Camb), 46, pp. 8371-8373

Carta, F., Garaj, V., Maresca, A., Sulfonamides incorporating 1, 3, 5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms i and II: Solution and X-ray crystallographic studies (2011) Bioorg Med Chem, 19, pp. 3105-3119

Hen, N., Bialer, M., Yagen, B., Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII and XIV (2011) J Med Chem, 54, pp. 3977-81

Güzel, O., Innocenti, A., Scozzafava, A., Carbonic anhydrase inhibitors. Phenacetyl-, pyridylacetyl-and thienylacetyl-substituted aromatic sulfonamides act as potent and selective isoform VII inhibitors (2009) Bioorg Med Chem Lett, 19, pp. 3170-3173

Garaj, V., Puccetti, L., Fasolis, G., Carbonic anhydrase inhibitors: Synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II and IX with sulfonamides incorporating 1, 2, 4-triazine moieties (2004) Bioorg Med Chem Lett, 14, pp. 5427-5433

Pastorekova, S., Parkkila, S., Pastorek, J., Supuran, C.T., Carbonic anhydrases: Current state of the art, therapeutic applications and future prospects (2004) J Enzyme Inhib Med Chem, 19, pp. 199-229

Zimmerman, S., Innocenti, A., Casini, A., Carbonic anhydrase inhibitors. Inhibition of the prokariotic beta and gamma-class enzymes from Archaea with sulfonamides (2004) Bioorg Med Chem Lett, 14, pp. 6001-6006

Jude, K.M., Banerjee, A.L., Haldar, M.K., Ultrahigh resolution crystal structures of human carbonic anhydrases i and II complexed with "two-prong" inhibitors reveal the molecular basis of high affinity (2006) J Am Chem Soc, 128, pp. 3011-3018

Kim, C.Y., Chandra, P.P., Jain, A., Christianson, D.W., Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II (2001) J Am Chem Soc, 123, pp. 9620-9627

De Simone, G., Vitale, R.M., Di Fiore, A., Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX (2006) J Med Chem, 49, pp. 5544-5551

Avvaru, B.S., Wagner, J.M., Maresca, A., Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors (2010) Bioorg Med Chem Lett, 20, pp. 4376-4381

Biswas, S., Carta, F., Scozzafava, A., Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition (2013) Bioorg Med Chem, 21, pp. 2314-2318

Whittaker, M., Floyd, C.D., Brown, P., Gearing, A.J.H., Design and therapeutic application of matrix metalloproteinase inhibitors (1999) Chem Rev, 99, pp. 2735-2776

Scolnick, L.R., Clements, A.M., Liao, J., Novel binding mode of hydroxamate inhibitors to human carbonic anhydrase II (1997) J Am Chem Soc, 119, pp. 850-851

Fisher, S.Z., Aggarwal, M., Kovalevsky, A.Y., Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding (2012) J Am Chem Soc, 134, pp. 14726-14729

Capasso, C., Supuran, C.T., Anti-infective carbonic anhydrase inhibitors: A patent and literature review (2013) Expert Opin Ther Pat, , published online 14 March 2013

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

G zel, O., Innocenti, A., Scozzafava, A., Carbonic anhydrase inhibitors. Phenacetyl-, pyridylacetyl-and thienylacetyl-substituted aromatic sulfonamides act as potent and selective isoform VII inhibitors (2009) Bioorg Med Chem Lett, 19, pp. 3170-3173

Jude, K. M., Banerjee, A. L., Haldar, M. K., Ultrahigh resolution crystal structures of human carbonic anhydrases i and II complexed with "two-prong" inhibitors reveal the molecular basis of high affinity (2006) J Am Chem Soc, 128, pp. 3011-3018

Kim, C. Y., Chandra, P. P., Jain, A., Christianson, D. W., Fluoroaromatic-fluoroaromatic interactions between inhibitors bound in the crystal lattice of human carbonic anhydrase II (2001) J Am Chem Soc, 123, pp. 9620-9627

Avvaru, B. S., Wagner, J. M., Maresca, A., Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors (2010) Bioorg Med Chem Lett, 20, pp. 4376-4381

Scolnick, L. R., Clements, A. M., Liao, J., Novel binding mode of hydroxamate inhibitors to human carbonic anhydrase II (1997) J Am Chem Soc, 119, pp. 850-851

Fisher, S. Z., Aggarwal, M., Kovalevsky, A. Y., Neutron diffraction of acetazolamide-bound human carbonic anhydrase II reveals atomic details of drug binding (2012) J Am Chem Soc, 134, pp. 14726-14729

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

Ricerca avanzata▼
Contiene: [X]      Estesa     Autori: [X]  Tipo di lavoro: [X]   Data iniziale: Data finale: [X]      Sede: Affiliazione IBB     
    
[Pulisci modulo]
Vai a fine pagina   Versione per copia e incolla facile   Esporta tutto in BibTeX   Esporta tutto in EndNote


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 (47 visite)
Eur J Med Chem (ISSN: 1768-3254electronic, 0223-5234linking), 2019 Feb 1; 163: 443-452.
Impact Factor: 2.882
Dettagli    Esporta in BibTeX    Esporta in EndNote

De Simone G
* Targeted treatment of anaerobic cancer. Patent evaluation of US2016279084 and US2017056350 (23 visite)
Expert Opin Ther Pat (ISSN: 1744-7674electronic, 1354-3776linking), 2019 Jan; 29(1): 1-6.
Impact Factor: 4.626
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (287 visite)
J Enzym Inhib Med Ch (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 151-157.
Impact Factor: 4.293
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (120 visite)
J Enzym Inhib Med Ch (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 255-259.
Impact Factor: 2.332
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (40 visite)
Bioorg Chem (ISSN: 1090-2120electronic, 0045-2068linking), 2018 Oct; 80: 261-265.
Impact Factor: 3.929
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (61 visite)
Chem Commun (ISSN: 1364-548xelectronic, 1359-7345linking), 2018 Sep 11; 54(73): 10312-10315.
Impact Factor: 6.169
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (155 visite)
Cell Mol Life Sci, 2018 Sep; 75: 3283-3296.
Impact Factor: 6.721
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (79 visite)
Med Res Rev (ISSN: 1098-1128electronic, 0198-6325linking), 2018 Sep; 38(6): 1799-1836.
Impact Factor: 8.29
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (30 visite)
Eur J Med Chem (ISSN: 0223-5234linking, 1768-3254electronic), 2018 Aug 5; 156: 430-443.
Impact Factor: 4.816
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (89 visite)
Oxid Med Cell Longev (ISSN: 1942-0994linking), 2018 Aug 5; 2018:2018306: 2018306-2018306.
Impact Factor: 4.936
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (59 visite)
Int J Mol Sc (ISSN: 1661-6596, 1422-0067, 1422-0067electronic), 2018 May; 19(6): 19-24.
Impact Factor: 3.687
Dettagli    Esporta in BibTeX    Esporta in EndNote

D'Ambrosio K, Supuran CT, De Simone G
* Are Carbonic Anhydrases Suitable Targets to Fight Protozoan Parasitic Diseases? (24 visite)
Curr Med Chem (ISSN: 1875-533xelectronic, 0929-8673linking), 2018; 25(39): 5266-5278.
Impact Factor: 4.63
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (97 visite)
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic), 2017 Dec; 32(1): 1002-1011.
Impact Factor: 3.638
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (143 visite)
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic), 2017 Dec; 32(1): 5-12.
Impact Factor: 3.638
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (126 visite)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2017 Jun 19; 138: 115-127.
Impact Factor: 4.816
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (138 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 May 25; 60(10): 4316-4326.
Impact Factor: 6.253
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (104 visite)
Acs Chem Biol (ISSN: 1554-8929), 2017 Apr 19; N/D: N/D-N/D.
Impact Factor: 4.592
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (89 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2017 Mar 23; 60(6): 2456-2469.
Impact Factor: 6.253
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (88 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2017 Feb 15; 25(4): 1456-1464.
Impact Factor: 2.881
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (93 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2017 Jan 15; pii:S0968-0896(16): 539-544.
Impact Factor: 2.881
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (27 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2017; 25(2): 539-544.
Impact Factor: 2.881
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (129 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2016 Sep 29; 52(80): 11983-11986.
Impact Factor: 6.319
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (97 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2016 Aug 15; 24(16): 3643-3648.
Impact Factor: 2.93
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (105 visite)
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2016 Jun 07; 14(21): 4853-4858.
Impact Factor: 3.564
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (120 visite)
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic), 2016 Jun; 31(sup4): 54-59.
Impact Factor: 4.293
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (126 visite)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 4; 22(1): 97-100.
Impact Factor: 5.317
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (102 visite)
J Enzyme Inhib Med Chem, 2016; 17: 1-6.
Impact Factor: 3.428
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (117 visite)
J Enzyme Inhib Med Chem, 2016; 31(sup4): N/D-N/D.
Impact Factor: 3.428
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (146 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2015 Nov 12; 58(21): 8564-8572.
Impact Factor: 5.589
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (165 visite) (PDF 146 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jul 2; 51(57): 11519-11522.
Impact Factor: 6.567
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (122 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x), 2015 May 1; 25(9): 2002-2006.
Impact Factor: 2.486
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (162 visite)
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2015 Apr 7; 13(13): 4064-4069.
Impact Factor: 3.559
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (257 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x), 2015 Apr 1; 25(7): 1385-1389.
Impact Factor: 2.486
Dettagli    Esporta in BibTeX    Esporta in EndNote

Alterio V, Langella E, De Simone G, Monti SM
* Cadmium-containing carbonic anhydrase CDCA1 in marine diatom Thalassiosira weissflogii (174 visite)
Mar Drugs (ISSN: 1660-3397), 2015 Apr; 13(4): 1688-1697.
Impact Factor: 3.345
Dettagli    Esporta in BibTeX    Esporta in EndNote

Monti SM, Supuran CT,  De Simone G
* DPP-4 inhibitors: a patent review (2012 - 2014) (123 visite)
Expert Opin Ther Pat (ISSN: 1354-3776, 1744-7674electronic), 2015 Feb; 25(2): 209-236.
Impact Factor: 4.626
Dettagli    Esporta in BibTeX    Esporta in EndNote

Supuran CT, Capasso C, De Simone G
* Carbonic Anhydrase II as Target for Drug Design (114 visite)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 51-90.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

Monti SM, Supuran CT, De Simone G, Di Fiore A
* Carbonic Anhydrase VII (92 visite)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 151-168.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

Supuran CT, De Simone G
Carbonic Anhydrases: An Overview (105 visite)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 3-13.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

D'Ambrosio K, De Simone G, Supuran CT
* Human Carbonic Anhydrases: Catalytic Properties, Structural Features, and Tissue Distribution (105 visite)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 17-30.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (174 visite) (PDF 148 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jan 7; 51(2): 302-305.
Impact Factor: 6.567
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (147 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391), 2015; 23(15): 4181-4187.
Impact Factor: 2.923
Dettagli    Esporta in BibTeX    Esporta in EndNote

Iqbal J, Al-rashida M, Durdagi S, Alterio V, Di Fiore A
* Recent developments of carbonic anhydrase inhibitors as potential drugs (151 visite)
Biomed Res Int (ISSN: 2314-6133, 2314-6141), 2015; 2015: 174178-174178.
Impact Factor: 2.134
Dettagli    Esporta in BibTeX    Esporta in EndNote

Di Fiore A, Alterio V, Monti SM, De Simone G, D’Ambrosio K
* Thermostable carbonic anhydrases in biotechnological applications (167 visite)
Int J Mol Sc (ISSN: 1422-0067, 1661-6596, 1422-0067linking), 2015; 16(7): 15456-15480.
Impact Factor: 3.257
Dettagli    Esporta in BibTeX    Esporta in EndNote

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" (155 visite)
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2014; 29(4): 500-504.
Impact Factor: 2.332
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (160 visite)
Biomed Res Int (ISSN: 2314-6133, 2314-6141), 2014; 2014: 523210-523210.
Impact Factor: 1.579
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (149 visite)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2014; 101(7): 769-778.
Impact Factor: 2.385
Dettagli    Esporta in BibTeX    Esporta in EndNote

Alterio V, Monti SM, De Simone G
* Thermal-stable carbonic anhydrases: a structural overview (167 visite)
Subcell Biochem (ISSN: 0306-0225), 2014; 75: 387-404.
Impact Factor: 33.116
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (214 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2013 Nov 14; 56(21): 8512-8520.
Impact Factor: 5.48
Dettagli    Esporta in BibTeX    Esporta in EndNote

Monti SM, Supuran CT, De Simone G
* Anticancer carbonic anhydrase inhibitors: A patent review (2008-2013) (161 visite)
Expert Opin Ther Pat (ISSN: 1354-3776, 1744-7674electronic), 2013 Jun; 23(6): 737-749.
Impact Factor: 3.441
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (140 visite)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jun; 69(6): 1150-1159.
Impact Factor: 7.232
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (167 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x), 2013 Mar 15; 23(6): 1626-1630.
Impact Factor: 2.331
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (160 visite)
J Proteome Res (ISSN: 1535-3893), 2013 Jan; 12(1): 282-292.
Impact Factor: 5.001
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (133 visite)
Biol Chem Biological Chemistry (ISSN: 1431-6730, 1431-1673, 1437-4315), 2013; 394(10): 1343-1348.
Impact Factor: 2.689
Dettagli    Esporta in BibTeX    Esporta in EndNote

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? (161 visite)
Chem Rev (ISSN: 0009-2665), 2012 Sep; 112(8): 4421-4468.
Impact Factor: 41.298
Dettagli    Esporta in BibTeX    Esporta in EndNote

De Simone G, Supuran CT
* (In)organic anions as carbonic anhydrase inhibitors (166 visite)
J Chem Res (ISSN: 0162-0134, 1873-3344, 0162-0134print), 2012 Jun; 111: 117-129.
Impact Factor: 3.197
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (173 visite)
Biochimie (ISSN: 0300-9084, 1638-6183, 1638-6183electronic), 2012 May; 94(5): 1232-1241.
Impact Factor: 3.142
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (133 visite)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2012 Feb 15; 22(4): 1560-1564.
Impact Factor: 2.338
Dettagli    Esporta in BibTeX    Esporta in EndNote

Monti SM, Supuran CT, De Simone G
* Carbonic anhydrase IX as a target for designing novel anticancer drugs (199 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2012 Feb; 19(6): 821-830.
Impact Factor: 4.07
Dettagli    Esporta in BibTeX    Esporta in EndNote

De Simone G
* Editorial: Zinc Metallo-Enzymes As Target For Drug Design (125 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2012 Feb; 19(6): 820-1012.
Impact Factor: 4.07
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (149 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x), 2012 Jan 15; 22(2): 859-862.
Impact Factor: 2.338
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (157 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2012; 55(15): 6776-6783.
Impact Factor: 5.614
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (121 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2012; 48(70): 8838-8840.
Impact Factor: 6.378
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (129 visite)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2011; 47(42): 11636-11638.
Impact Factor: 6.169
Dettagli    Esporta in BibTeX    Esporta in EndNote

Avila FF, Improta R, Santoro F, Barone V
* Computing the inhomogeneous broadening of electronic transitions in solution: A first-principle quantum mechanical approach (101 visite)
Phys Chem Chem Phys (ISSN: 1463-9076, 1463-3907, 1463-9084electronic), 2011; 13(38): 17007-17012.
Impact Factor: 3.573
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (144 visite)
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Sep 15; 20(16): 4745-4748.
Impact Factor: 2.661
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (137 visite)
Org Biomol Chem (ISSN: 1477-0520, 1477-0539, 1477-0539electronic), 2010 Sep 7; 8(15): 3528-3533.
Impact Factor: 3.451
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (117 visite)
Bioorg Med Chem Lett (ISSN: 0960-894x), 2010 Sep 1; 20(17): 5023-5026.
Impact Factor: 2.661
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (115 visite)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2010 Jun 15; 20(12): 3601-3605.
Impact Factor: 2.661
Dettagli    Esporta in BibTeX    Esporta in EndNote

De Simone G, Supuran CT
* Carbonic anhydrase IX: Biochemical and crystallographic characterization of a novel antitumor target (172 visite)
Bba-Mol Basis Dis (ISSN: 1570-9639, 0006-3002, 0925-4439), 2010 Feb; 1804(2): 404-409.
Impact Factor: 2.773
Dettagli    Esporta in BibTeX    Esporta in EndNote

Guler OO, De Simone G, Supuran CT
* Drug design studies of the novel antitumor targets carbonic anhydrase IX and XII (214 visite)
Curr Med Chem (ISSN: 0929-8673, 1875-533x, 1875-533xelectronic), 2010; 17(15): 1516-1526.
Impact Factor: 4.63
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (148 visite)
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2010; 16(29): 3246-3254.
Impact Factor: 4.774
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (96 visite)
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2009 Oct 15; 19(20): 5825-5828.
Impact Factor: 2.65
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (190 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2009 Oct 8; 52(19): 5990-5998.
Impact Factor: 4.802
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (249 visite)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2009 Sep 22; 106(38): 16233-16238.
Impact Factor: 9.432
Dettagli    Esporta in BibTeX    Esporta in EndNote

De Simone G, Scozzafava A, Supuran CT
* Which Carbonic Anhydrases are Targeted by the Antiepileptic Sulfonamides and Sulfamates? (123 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
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (148 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2009 Mar; 15(3): 155-160.
Impact Factor: 1.807
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (129 visite)
Proteins (ISSN: 1097-0134, 0887-3585, 1097-0134electronic), 2009 Jan; 74(1): 164-175.
Impact Factor: 3.085
Dettagli    Esporta in BibTeX    Esporta in EndNote

Hilvo M, De Simone G, Supuran CT, Parkkila S
* Advances in the Inhibitory and Structural Investigations on Carbonic Anhydrase Isozymes XIII and XV (125 visite)
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; N/D: 273-283.
Impact Factor: 1.156
Dettagli    Esporta in BibTeX    Esporta in EndNote

De Simone G, Supuran CT
* Drug Design of Antiobesity Carbonic Anhydrase Inhibitors (144 visite)
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; 66(DECEMBERSPEC.I): 241-254.
Impact Factor: 1.156
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (142 visite)
Drug Des Of Zinc Enzyme Inhibitors (ISSN: 9780-4702, 9780-470275009), 2009; N/D: 73-138.
Impact Factor: 1.156
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (176 visite)
J Biol Chem (ISSN: 0021-9258, 1083-351x), 2008 Oct 10; 283(41): 27799-27809.
Impact Factor: 5.52
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (155 visite)
Mol Cancer Ther (ISSN: 1535-7163, 1538-8514electronic), 2008 Sep; 7(8): 2435-2444.
Impact Factor: 5.003
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (172 visite)
J Med Chem (ISSN: 1520-4804, 0022-2623, 0022-2623print), 2008 Jun 12; 51(11): 3230-3237.
Impact Factor: 4.898
Dettagli    Esporta in BibTeX    Esporta in EndNote

Supuran CT, Di Fiore A, De Simone G
* Carbonic anhydrase inhibitors as emerging drugs for the treatment of obesity (148 visite)
Expert Opin Emerg Drugsexpert Opinion On Emerging Drugs (ISSN: 1472-8214), 2008 Jun; 13(2): 383-392.
Impact Factor: 3.08
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (139 visite)
Bioorg Med Chem Lett (ISSN: 1464-3405, 0960-894x, 1464-3405electronic), 2008 Apr 15; 18(8): 2669-2674.
Impact Factor: 2.531
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (120 visite)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2008 Apr 1; 18(7): 2267-2271.
Impact Factor: 2.531
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (162 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2008 Mar 13; 51(5): 1295-1308.
Impact Factor: 4.898
Dettagli    Esporta in BibTeX    Esporta in EndNote

De Simone G, Di Fiore A, Supuran CT
* Are carbonic anhydrase inhibitors suitable for obtaining antiobesity drugs? (138 visite)
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2008 Mar; 14(7): 655-660.
Impact Factor: 4.399
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (182 visite)
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2008 Mar; 3(3): 473-477.
Impact Factor: 3.15
Dettagli    Esporta in BibTeX    Esporta in EndNote

Supuran CT, De Simone G
Carbonic anhydrases--an overview (133 visite)
Curr Pharm Des, 2008; 14(7): 603-614.
Impact Factor: 0
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (128 visite)
Curr Pharm Des Current Pharmaceutical Design (ISSN: 1381-6128, 1873-4286), 2008; 14(7): 672-678.
Impact Factor: 4.399
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (138 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D.
Impact Factor: 3.044
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (138 visite)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Sep 1; 17(15): 4201-4207.
Impact Factor: 2.604
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (138 visite)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 1464-3391electronic), 2007 Jun 15; 15(12): 4152-4158.
Impact Factor: 2.662
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (103 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 May 14; 126(18): 184102-184102.
Impact Factor: 3.044
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (140 visite)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2007 Mar 15; 17(6): 1726-1731.
Impact Factor: 2.604
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (110 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Feb 28; 126(8): 084509-084509.
Impact Factor: 3.044
Dettagli    Esporta in BibTeX    Esporta in EndNote

Galdiero S, Galdiero M, Pedone C
* Beta-Barrel Membrane Bacterial Proteins: Structure, Function, Assembly And Interaction With Lipids (117 visite)
Curr Protein Pept Sci (ISSN: 1389-2037), 2007 Feb; 8(1): 63-82.
Impact Factor: 3.259
Dettagli    Esporta in BibTeX    Esporta in EndNote

Improta R, Barone V, Santoro F
* Ab initio calculations of absorption spectra of large molecules in solution: Coumarin C153 (135 visite)
Angew Chem Int Ed (ISSN: 1433-7851, 1521-3773electronic), 2007; 46(3): 405-408.
Impact Factor: 10.031
Dettagli    Esporta in BibTeX    Esporta in EndNote

De Simone G, Supuran CT
* Antiobesity carbonic anhydrase inhibitors (179 visite)
Curr Top Med Chem (ISSN: 1568-0266, 1568-0266linking, 1873-4294electronic), 2007; 7(9): 879-884.
Impact Factor: 4.325
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (327 visite)
J Med Chem (ISSN: 0022-2623print, 0022-2623linking, 1520-4804), 2006 Dec 28; 49(26): 7683-7696.
Impact Factor: 5.115
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (123 visite)
Bioorganic & Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Dec 15; 16(24): 6204-6208.
Impact Factor: 2.538
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (176 visite)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2006 Dec; 12(12): 829-835.
Impact Factor: 1.801
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (123 visite)
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.
Impact Factor: 3.166
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (160 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2006 Sep 7; 49(18): 5544-5551.
Impact Factor: 5.115
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (135 visite)
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jun 28; 128(25): 8329-8335.
Impact Factor: 7.696
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (137 visite)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2006 Jan 15; 16(2): 437-442.
Impact Factor: 2.538
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (172 visite)
J Med Chem (ISSN: 0022-2623, 1520-4804, 0022-2623print), 2005 Sep 8; 48(18): 5721-5727.
Impact Factor: 4.926
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (131 visite)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 May 2; 15(9): 2315-2320.
Impact Factor: 2.478
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (167 visite)
Bioorg Med Chem Lett Bioorganic And Medicinal Chemistry Letters (ISSN: 0960-894x), 2005 Apr 1; 15(7): 1937-1942.
Impact Factor: 2.478
Dettagli    Esporta in BibTeX    Esporta in EndNote

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 (91 visite)
Digestive Diseases And Sciences (ISSN: 0163-2116), 1998; 43(9): 2086-2092.
Impact Factor: 1.972
Dettagli    Esporta in BibTeX    Esporta in EndNote



111 Records (106 escludendo Abstract e Conferenze).
Impact factor totale: 481.912 (464.499 escludendo Abstract e Conferenze).
Impact factor a 5 anni totale: 464.171 (446.396 escludendo Abstract e Conferenze).







    Esporta in BibTeX    Esporta in EndNote