Carbonic anhydrase inhibitors: Binding of indanesulfonamides to the human isoform II (378 views)
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2008 Mar; 3(3): 473-477.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 3.15, 5-year impact factor: 3.15
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-48049109465&partnerID=40&md5=defb06ac444ab4fbe597425e2b190296
Keywords: Carbonic Anhydrase Ii, Enzyme-Inhibitor Complexes, Medicinal Chemistry, Sulfonamide Design, X-Ray Structure, Carbonate Dehydratase Ii, Carbonate Dehydratase Inhibitor, Indan Derivative, Isoprotein, Article, Binding Site, Conformation, Drug Antagonism, Human, Metabolism, Structure Activity Relation, X Ray Crystallography, Carbonic Anhydrase Inhibitors, Molecular Conformation, Protein Isoforms, Structure-Activity Relationship,
Affiliations:
*** IBB - CNR ***
Istituto di Biostrutture e Bioimmagini-CNR, via Mezzocannone 16, 80134 Napoli, Italy
Drug Design and Discovery Center, University of Namur, 61 rue de Bruxelles, 5000 Namur, Belgium
Università degli Studi di Firenze, Laboratorio di Chimica Bioinorganica, Via della Lastruccia 3, 50019 Sesto Fiorentino (Firenze), Italy
Universit degli Studi di Firenze, Laboratorio di Chimica Bioinorganica, Via della Lastruccia 3, 50019 Sesto Fiorentino (Firenze), Italy
References:
(2004) Carbonic anhydrase - Its inhibitors and activators, pp. 1-363. , Eds, C. T. Supuran, A. Scozz afava, J. Conway, CRC, Boca Raton, F
Supuran, C.T., Scozz afava, A., (2000) Expert Opin. Ther. Pat, 10, pp. 575-600
Smith, K.S., Ferry, J.G., (2000) FEMS Microbiol. Rev, 24, pp. 335-366
Liljas, A., Kannan, K.K., Bergsten, P.C., Waara, I., Fridborg, K., Strandberg, B., Carlbom, U., Petef, M., (1972) Nature New Biol, 235, pp. 131-137
Köhler, K., Hillebrecht, A., Schulze Wischeler, J., Innocenti, A., Heine, A., Supuran, C.T., Klebe, G., (2007) Angew. Chem, 119, pp. 7841-7843
(2007) Angew. Chem. Int. Ed, 46, pp. 7697-7699
Mincione, F., Scozzafava, A., Supuran, C.T., (2007) Curr. Top. Med. Chem, 7, pp. 849-854
Supuran, C.T., (2003) Expert Opin. Ther. Pat, 13, pp. 1545-1550
De Simone, G., Supuran, C.T., (2007) Curr. Top. Med. Chem, 7, pp. 879-884
Thiry, A., Dogné, J.-M., Masereel, B., Supuran, C.T., (2006) Trends Pharmacol. Sci, 27, pp. 566-573
Švastová, E., Hulíková, A., Rafajová, M., Zatovicová, M., Gibadulinová, A., Casini, A., Cecchi, A., Pastoreková, S., (2004) FEBS Lett, 577, pp. 439-445
Pastorekova, S., Kopacek, J., Pastorek, J., (2007) Curr. Top. Med. Chem, 7, pp. 865-878
Dubois, L., Douma, K., Supuran, C.T., Chiu, R.K., van Zandvoort, M.A.M.J., Pastoreková, S., Scozzafava, A., Lambin, P., (2007) Radiother. Oncol, 83, pp. 367-373
De Simone, G., Vitale, R.M., Di Fiore, A., Pedone, C., Scozzafava, A., Montero, J.L., Winum, J.Y., Supura n, C.T., (2006) J. Med. Chem, 49, pp. 5544-5551
Krungkrai, J., Krungkrai, S.R., Supuran, C.T., (2007) Curr. Top. Med. Chem, 7, pp. 909-917
Nishimori, I., Minakuchi, T., Morimoto, K., Sano, S., Onishi, S., Takeuchi, H., Vullo, D., Supuran, C.T., (2006) J. Med. Chem, 49, pp. 2117-2126
Klengel, T., Liang, W.J., Chaloupka, J., Ruoff, C., Schroppel, K., Naglik, J.R., Eckert, S.E., Muhlschlegel, F.A., (2005) Curr. Biol, 15, pp. 2021-2026
Mogensen, E.G., Janbon, G., Chaloupka, J., Steegborn, C., Fu, M.S., Moyrand, F., Klengel, T., Mühlschlegel, F.A., (2006) Eukaryotic Cell, 5, pp. 103-111
Bahn, Y., Cox, G., Perfect, J., Heitman, J., (2005) Curr. Biol, 15, pp. 2013-2020
Suarez Covarrubias, A., Larsson, A.M., Högbom, M., Lindberg, J., Bergfors, T., Björkelid, C., Mowbray, S.L., Alwyn Jones, T., (2005) J. Biol. Chem, 280, pp. 18 782-18 789
Chazalette, C., Masereel, B., Rolin, S., Thiry, A., Scozzafava, A., Innocenti, A., Supuran, C.T., (2004) Bioorg. Med. Chem. Lett, 14, pp. 5781-5786
Thiry, A., Ledecq, M., Cecchi, A., Supuran, C.T., Wouters, J., Dogné, J.-M., Masereel, B., (2006) J. Med. Chem, 49, pp. 2743-2749
Thiry, A., Masereel, B., Dogné, J.-M., Supuran, C.T., Wouters, J., Michaux, C., (2007) ChemMedChem, 2, pp. 1273-1280
Thiry, A., DognèDogné, J.-M., Masereel, B., Supuran, C.T., (2007) Curr. Top. Med. Chem, 7, pp. 855-864
Ruusuvuori, E., Li, H., Huttu, K., Palva, J.M., Smirnov, S., Rivera, C., Kaila, K., Voipio, J., (2004) J. Neurosci, 24, pp. 2699-2707
Rivera, C., Voipio, J., Kaila, K., (2004) J. Physiol, 562, pp. 27-36
Eriksson, A.E., Jones, T.A., Liljas, A., (1988) Proteins Struct. Funct. Genet, 4, pp. 274-282
Grüneberg, S., Stubbs, M.T., Klebe, G., (2002) J. Med. Chem, 45, pp. 3588-3682
Weber, A., Casini, A., Heine, A., Kuhn, D., Supuran, C.T., Scozzafava, A., Klebe, G., (2004) J. Med. Chem, 47, pp. 550-557
De Simone, G., Di Fiore, A., Menchise, V., Pedone, C., Antel, J., Casini, A., Scozzafava, A., Supuran, C.T., (2005) Bioorg. Med. Chem. Lett, 15, pp. 2315-2320
Casini, A., Antel, J., Abbate, F., Scozzafava, A., David, S., Waldeck, H., Schafer, S., Supuran, C.T., (2003) Bioorg. Med. Chem. Lett, 13, pp. 841-845
Abbate, F., Casini, A., Owa, T., Scozzafava, A., Supuran, C.T., (2004) Bioorg. Med. Chem. Lett, 14, pp. 217-223
Boriack, P.A., Christianson, D.W., Kingery-Wood, J., Whitesides, G.M., (1995) J. Med. Chem, 38, pp. 2286-2291
Stams, T., Chen, Y., Boriack-Sjodin, P.A., Hurt, J.D., Liao, J., May, J.A., Dean, T., Christianson, D.W., (1998) Protein Sci, 7, pp. 556-563
Kim, C.Y., Chang, J.S., Doyon, J.B., Baird, T.T., Fierke, C.A., Jain, A., Christianson, D.W., (2000) J. Am. Chem. Soc, 122, pp. 12125-12134
Whittington, D.A., Waheed, A., Ulmasov, B., Shah, G.N., Grubb, J.H., Sly, W.S., Christianson, D.W., (2001) Proc. Natl. Acad. Sci. USA, 98, pp. 9545-9550
Vidgren, J., Svensson, A., Liljas, A., (1993) Int. J. Biol. Macromol, 15, pp. 97-100
Otwinowski, Z., Minor, W., (1997) Methods Enzymol, 276, pp. 307-326
Brünger, A.T., Adams, P.D., Clore, G.M., De Lano, W.L., Gros, P., Grosse-Kunstleve, R.W., Jiang, J.S., Warren, G.L., (1998) Acta Crystallogr. Sect. D, 54, pp. 905-921
Jones, T.A., Zou, J.Y., Cowan, S.W., Kjeldgaard, M., (1991) Acta Crystallogr. Sect. A, 47, pp. 110-119
Laskowski, R.A., MacArthur, M.W., Moss, D.S., Thornton, J.M., (1993) J. Appl. Crystallogr, 26, pp. 283-291
Supuran, C. T., Scozz afava, A., (2000) Expert Opin. Ther. Pat, 10, pp. 575-600
Smith, K. S., Ferry, J. G., (2000) FEMS Microbiol. Rev, 24, pp. 335-366
K hler, K., Hillebrecht, A., Schulze Wischeler, J., Innocenti, A., Heine, A., Supuran, C. T., Klebe, G., (2007) Angew. Chem, 119, pp. 7841-7843
(2007) Angew. Chem. Int. Ed, 46, pp. 7697-7699
Thiry, A., Dogn, J. -M., Masereel, B., Supuran, C. T., (2006) Trends Pharmacol. Sci, 27, pp. 566-573
vastov, E., Hul kov, A., Rafajov, M., Zatovicov, M., Gibadulinov, A., Casini, A., Cecchi, A., Pastorekov, S., (2004) FEBS Lett, 577, pp. 439-445
Mogensen, E. G., Janbon, G., Chaloupka, J., Steegborn, C., Fu, M. S., Moyrand, F., Klengel, T., M hlschlegel, F. A., (2006) Eukaryotic Cell, 5, pp. 103-111
Thiry, A., Dogn Dogn, J. -M., Masereel, B., Supuran, C. T., (2007) Curr. Top. Med. Chem, 7, pp. 855-864
Eriksson, A. E., Jones, T. A., Liljas, A., (1988) Proteins Struct. Funct. Genet, 4, pp. 274-282
Gr neberg, S., Stubbs, M. T., Klebe, G., (2002) J. Med. Chem, 45, pp. 3588-3682
Boriack, P. A., Christianson, D. W., Kingery-Wood, J., Whitesides, G. M., (1995) J. Med. Chem, 38, pp. 2286-2291
Kim, C. Y., Chang, J. S., Doyon, J. B., Baird, T. T., Fierke, C. A., Jain, A., Christianson, D. W., (2000) J. Am. Chem. Soc, 122, pp. 12125-12134
Whittington, D. A., Waheed, A., Ulmasov, B., Shah, G. N., Grubb, J. H., Sly, W. S., Christianson, D. W., (2001) Proc. Natl. Acad. Sci. USA, 98, pp. 9545-9550
Br nger, A. T., Adams, P. D., Clore, G. M., De Lano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J. S., Warren, G. L., (1998) Acta Crystallogr. Sect. D, 54, pp. 905-921
Jones, T. A., Zou, J. Y., Cowan, S. W., Kjeldgaard, M., (1991) Acta Crystallogr. Sect. A, 47, pp. 110-119
Laskowski, R. A., MacArthur, M. W., Moss, D. S., Thornton, J. M., (1993) J. Appl. Crystallogr, 26, pp. 283-291
Chemmedchem (ISSN: 1860-7179, 1860-7187, 1860-7187electronic), 2008 Mar; 3(3): 473-477.
Export to BibTeX Export to EndNote
Paper type: Journal Article,
Impact factor: 3.15, 5-year impact factor: 3.15
Url: http://www.scopus.com/inward/record.url?eid=2-s2.0-48049109465&partnerID=40&md5=defb06ac444ab4fbe597425e2b190296
Keywords: Carbonic Anhydrase Ii, Enzyme-Inhibitor Complexes, Medicinal Chemistry, Sulfonamide Design, X-Ray Structure, Carbonate Dehydratase Ii, Carbonate Dehydratase Inhibitor, Indan Derivative, Isoprotein, Article, Binding Site, Conformation, Drug Antagonism, Human, Metabolism, Structure Activity Relation, X Ray Crystallography, Carbonic Anhydrase Inhibitors, Molecular Conformation, Protein Isoforms, Structure-Activity Relationship,
Affiliations:
*** IBB - CNR ***
Istituto di Biostrutture e Bioimmagini-CNR, via Mezzocannone 16, 80134 Napoli, Italy
Drug Design and Discovery Center, University of Namur, 61 rue de Bruxelles, 5000 Namur, Belgium
Università degli Studi di Firenze, Laboratorio di Chimica Bioinorganica, Via della Lastruccia 3, 50019 Sesto Fiorentino (Firenze), Italy
Universit degli Studi di Firenze, Laboratorio di Chimica Bioinorganica, Via della Lastruccia 3, 50019 Sesto Fiorentino (Firenze), Italy
References:
(2004) Carbonic anhydrase - Its inhibitors and activators, pp. 1-363. , Eds, C. T. Supuran, A. Scozz afava, J. Conway, CRC, Boca Raton, F
Supuran, C.T., Scozz afava, A., (2000) Expert Opin. Ther. Pat, 10, pp. 575-600
Smith, K.S., Ferry, J.G., (2000) FEMS Microbiol. Rev, 24, pp. 335-366
Liljas, A., Kannan, K.K., Bergsten, P.C., Waara, I., Fridborg, K., Strandberg, B., Carlbom, U., Petef, M., (1972) Nature New Biol, 235, pp. 131-137
Köhler, K., Hillebrecht, A., Schulze Wischeler, J., Innocenti, A., Heine, A., Supuran, C.T., Klebe, G., (2007) Angew. Chem, 119, pp. 7841-7843
(2007) Angew. Chem. Int. Ed, 46, pp. 7697-7699
Mincione, F., Scozzafava, A., Supuran, C.T., (2007) Curr. Top. Med. Chem, 7, pp. 849-854
Supuran, C.T., (2003) Expert Opin. Ther. Pat, 13, pp. 1545-1550
De Simone, G., Supuran, C.T., (2007) Curr. Top. Med. Chem, 7, pp. 879-884
Thiry, A., Dogné, J.-M., Masereel, B., Supuran, C.T., (2006) Trends Pharmacol. Sci, 27, pp. 566-573
Švastová, E., Hulíková, A., Rafajová, M., Zatovicová, M., Gibadulinová, A., Casini, A., Cecchi, A., Pastoreková, S., (2004) FEBS Lett, 577, pp. 439-445
Pastorekova, S., Kopacek, J., Pastorek, J., (2007) Curr. Top. Med. Chem, 7, pp. 865-878
Dubois, L., Douma, K., Supuran, C.T., Chiu, R.K., van Zandvoort, M.A.M.J., Pastoreková, S., Scozzafava, A., Lambin, P., (2007) Radiother. Oncol, 83, pp. 367-373
De Simone, G., Vitale, R.M., Di Fiore, A., Pedone, C., Scozzafava, A., Montero, J.L., Winum, J.Y., Supura n, C.T., (2006) J. Med. Chem, 49, pp. 5544-5551
Krungkrai, J., Krungkrai, S.R., Supuran, C.T., (2007) Curr. Top. Med. Chem, 7, pp. 909-917
Nishimori, I., Minakuchi, T., Morimoto, K., Sano, S., Onishi, S., Takeuchi, H., Vullo, D., Supuran, C.T., (2006) J. Med. Chem, 49, pp. 2117-2126
Klengel, T., Liang, W.J., Chaloupka, J., Ruoff, C., Schroppel, K., Naglik, J.R., Eckert, S.E., Muhlschlegel, F.A., (2005) Curr. Biol, 15, pp. 2021-2026
Mogensen, E.G., Janbon, G., Chaloupka, J., Steegborn, C., Fu, M.S., Moyrand, F., Klengel, T., Mühlschlegel, F.A., (2006) Eukaryotic Cell, 5, pp. 103-111
Bahn, Y., Cox, G., Perfect, J., Heitman, J., (2005) Curr. Biol, 15, pp. 2013-2020
Suarez Covarrubias, A., Larsson, A.M., Högbom, M., Lindberg, J., Bergfors, T., Björkelid, C., Mowbray, S.L., Alwyn Jones, T., (2005) J. Biol. Chem, 280, pp. 18 782-18 789
Chazalette, C., Masereel, B., Rolin, S., Thiry, A., Scozzafava, A., Innocenti, A., Supuran, C.T., (2004) Bioorg. Med. Chem. Lett, 14, pp. 5781-5786
Thiry, A., Ledecq, M., Cecchi, A., Supuran, C.T., Wouters, J., Dogné, J.-M., Masereel, B., (2006) J. Med. Chem, 49, pp. 2743-2749
Thiry, A., Masereel, B., Dogné, J.-M., Supuran, C.T., Wouters, J., Michaux, C., (2007) ChemMedChem, 2, pp. 1273-1280
Thiry, A., DognèDogné, J.-M., Masereel, B., Supuran, C.T., (2007) Curr. Top. Med. Chem, 7, pp. 855-864
Ruusuvuori, E., Li, H., Huttu, K., Palva, J.M., Smirnov, S., Rivera, C., Kaila, K., Voipio, J., (2004) J. Neurosci, 24, pp. 2699-2707
Rivera, C., Voipio, J., Kaila, K., (2004) J. Physiol, 562, pp. 27-36
Eriksson, A.E., Jones, T.A., Liljas, A., (1988) Proteins Struct. Funct. Genet, 4, pp. 274-282
Grüneberg, S., Stubbs, M.T., Klebe, G., (2002) J. Med. Chem, 45, pp. 3588-3682
Weber, A., Casini, A., Heine, A., Kuhn, D., Supuran, C.T., Scozzafava, A., Klebe, G., (2004) J. Med. Chem, 47, pp. 550-557
De Simone, G., Di Fiore, A., Menchise, V., Pedone, C., Antel, J., Casini, A., Scozzafava, A., Supuran, C.T., (2005) Bioorg. Med. Chem. Lett, 15, pp. 2315-2320
Casini, A., Antel, J., Abbate, F., Scozzafava, A., David, S., Waldeck, H., Schafer, S., Supuran, C.T., (2003) Bioorg. Med. Chem. Lett, 13, pp. 841-845
Abbate, F., Casini, A., Owa, T., Scozzafava, A., Supuran, C.T., (2004) Bioorg. Med. Chem. Lett, 14, pp. 217-223
Boriack, P.A., Christianson, D.W., Kingery-Wood, J., Whitesides, G.M., (1995) J. Med. Chem, 38, pp. 2286-2291
Stams, T., Chen, Y., Boriack-Sjodin, P.A., Hurt, J.D., Liao, J., May, J.A., Dean, T., Christianson, D.W., (1998) Protein Sci, 7, pp. 556-563
Kim, C.Y., Chang, J.S., Doyon, J.B., Baird, T.T., Fierke, C.A., Jain, A., Christianson, D.W., (2000) J. Am. Chem. Soc, 122, pp. 12125-12134
Whittington, D.A., Waheed, A., Ulmasov, B., Shah, G.N., Grubb, J.H., Sly, W.S., Christianson, D.W., (2001) Proc. Natl. Acad. Sci. USA, 98, pp. 9545-9550
Vidgren, J., Svensson, A., Liljas, A., (1993) Int. J. Biol. Macromol, 15, pp. 97-100
Otwinowski, Z., Minor, W., (1997) Methods Enzymol, 276, pp. 307-326
Brünger, A.T., Adams, P.D., Clore, G.M., De Lano, W.L., Gros, P., Grosse-Kunstleve, R.W., Jiang, J.S., Warren, G.L., (1998) Acta Crystallogr. Sect. D, 54, pp. 905-921
Jones, T.A., Zou, J.Y., Cowan, S.W., Kjeldgaard, M., (1991) Acta Crystallogr. Sect. A, 47, pp. 110-119
Laskowski, R.A., MacArthur, M.W., Moss, D.S., Thornton, J.M., (1993) J. Appl. Crystallogr, 26, pp. 283-291
Supuran, C. T., Scozz afava, A., (2000) Expert Opin. Ther. Pat, 10, pp. 575-600
Smith, K. S., Ferry, J. G., (2000) FEMS Microbiol. Rev, 24, pp. 335-366
K hler, K., Hillebrecht, A., Schulze Wischeler, J., Innocenti, A., Heine, A., Supuran, C. T., Klebe, G., (2007) Angew. Chem, 119, pp. 7841-7843
(2007) Angew. Chem. Int. Ed, 46, pp. 7697-7699
Thiry, A., Dogn, J. -M., Masereel, B., Supuran, C. T., (2006) Trends Pharmacol. Sci, 27, pp. 566-573
vastov, E., Hul kov, A., Rafajov, M., Zatovicov, M., Gibadulinov, A., Casini, A., Cecchi, A., Pastorekov, S., (2004) FEBS Lett, 577, pp. 439-445
Mogensen, E. G., Janbon, G., Chaloupka, J., Steegborn, C., Fu, M. S., Moyrand, F., Klengel, T., M hlschlegel, F. A., (2006) Eukaryotic Cell, 5, pp. 103-111
Thiry, A., Dogn Dogn, J. -M., Masereel, B., Supuran, C. T., (2007) Curr. Top. Med. Chem, 7, pp. 855-864
Eriksson, A. E., Jones, T. A., Liljas, A., (1988) Proteins Struct. Funct. Genet, 4, pp. 274-282
Gr neberg, S., Stubbs, M. T., Klebe, G., (2002) J. Med. Chem, 45, pp. 3588-3682
Boriack, P. A., Christianson, D. W., Kingery-Wood, J., Whitesides, G. M., (1995) J. Med. Chem, 38, pp. 2286-2291
Kim, C. Y., Chang, J. S., Doyon, J. B., Baird, T. T., Fierke, C. A., Jain, A., Christianson, D. W., (2000) J. Am. Chem. Soc, 122, pp. 12125-12134
Whittington, D. A., Waheed, A., Ulmasov, B., Shah, G. N., Grubb, J. H., Sly, W. S., Christianson, D. W., (2001) Proc. Natl. Acad. Sci. USA, 98, pp. 9545-9550
Br nger, A. T., Adams, P. D., Clore, G. M., De Lano, W. L., Gros, P., Grosse-Kunstleve, R. W., Jiang, J. S., Warren, G. L., (1998) Acta Crystallogr. Sect. D, 54, pp. 905-921
Jones, T. A., Zou, J. Y., Cowan, S. W., Kjeldgaard, M., (1991) Acta Crystallogr. Sect. A, 47, pp. 110-119
Laskowski, R. A., MacArthur, M. W., Moss, D. S., Thornton, J. M., (1993) J. Appl. Crystallogr, 26, pp. 283-291
Carbonic anhydrase inhibitors: Binding of indanesulfonamides to the human isoform II
Indanesulfonamides are interesting lead compounds for designing selective inhibitors of the different isoforms of the zinc enzyme Carbonic Anhydrase (CA). Herein, we report for the first time the X-ray crystal structure of two such derivatives, namely indane-5-sulfonamide and indane-2-valproylamido-5- sulfonamide, in complex with the physiologically dominant human isoform II. The structural analysis reveals that, although these two inhibitors have quite similar chemical structures, the arrangement of their indane ring within the enzyme active site is significantly diverse. Thus, our findings suggest that the introduction of bulky substituents on the indane-sulfonamide ring may alter the binding mode of this potent class of CA inhibitors, although retaining good inhibitory properties. Accordingly, the introduction of bulky tail moieties on the indane-sulfonamide scaffold may represent a powerful strategy to induce a desired physicochemical property to an aromatic sulfonamide or to obtain inhibitors with diverse inhibition profiles and selectivity for various mammalian CAs. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.
Indanesulfonamides are interesting lead compounds for designing selective inhibitors of the different isoforms of the zinc enzyme Carbonic Anhydrase (CA). Herein, we report for the first time the X-ray crystal structure of two such derivatives, namely indane-5-sulfonamide and indane-2-valproylamido-5- sulfonamide, in complex with the physiologically dominant human isoform II. The structural analysis reveals that, although these two inhibitors have quite similar chemical structures, the arrangement of their indane ring within the enzyme active site is significantly diverse. Thus, our findings suggest that the introduction of bulky substituents on the indane-sulfonamide ring may alter the binding mode of this potent class of CA inhibitors, although retaining good inhibitory properties. Accordingly, the introduction of bulky tail moieties on the indane-sulfonamide scaffold may represent a powerful strategy to induce a desired physicochemical property to an aromatic sulfonamide or to obtain inhibitors with diverse inhibition profiles and selectivity for various mammalian CAs. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.
Carbonic anhydrase inhibitors: Binding of indanesulfonamides to the human isoform II
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Carbonic anhydrase inhibitors: Binding of indanesulfonamides to the human isoform II
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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 (533 views)
J Enzym Inhib Med Ch (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 151-157.
Impact Factor: 4.293
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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 (235 views)
Eur J Med Chem (ISSN: 0223-5234linking, 1768-3254electronic), 2018 Aug 5; 156: 430-443.
Impact Factor: 4.816
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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 (364 views)
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 5-12.
Impact Factor: 3.638
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Pontillo N, Ferraro G, Helliwell JR, Amoresano A, Merlino A
* X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage (236 views)
Acs Med Chem Lett (ISSN: 1948-5875, 1948-5875linking), 2017 Feb 28; 8(4): 433-437.
Impact Factor: 3.794
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Tamasi G, Merlino A, Scaletti F, Heffeter P, Legin AA, Jakupec MA, Berger W, Messori L, Keppler BK, Cini R
* {Ru(CO)x}-Core complexes with benzimidazole ligands: synthesis, X-ray structure and evaluation of anticancer activity in vivo (313 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2017 Feb 28; 46(9): 3025-3040.
Impact Factor: 4.099
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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 (302 views)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 0968-0896linking), 2017 Feb 15; 25(4): 1456-1464.
Impact Factor: 2.881
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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 (336 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 4; 22(1): 97-100.
Impact Factor: 5.317
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Messori L, Merlino A
* Cisplatin binding to proteins: A structural perspective (626 views)
Coord Chem Rev (ISSN: 0010-8545), 2016; 315: 67-89.
Impact Factor: 13.324
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Supuran CT, Capasso C, De Simone G
* Carbonic Anhydrase II as Target for Drug Design (262 views)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 51-90.
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 (481 views) (PDF 237 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jan 7; 51(2): 302-305.
Impact Factor: 6.567
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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 (312 views)
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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Milardi D, Pappalardo M
* Molecular dynamics: New advances in drug discovery (433 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.
Impact Factor: 3.902
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Marasco D, Messori L, Marzo T, Merlino A
* Oxaliplatin vs. cisplatin: Competition experiments on their binding to lysozyme (724 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2015; 44(22): 10392-10398.
Impact Factor: 4.177
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Scognamiglio PL, Morelli G, Marasco D
* Synthetic and structural routes for the rational conversion of peptides into small molecules (474 views)
Methods Mol Biol (ISSN: 1064-3745, 1940-6029electronic, 1064-3745linking), 2015; 1268: 159-193.
Impact Factor: 3.221
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Ferraro G, Messori L, Merlino A
* The X-ray structure of the primary adducts formed in the reaction between cisplatin and cytochrome (323 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015; 51(13): 2559-2561.
Impact Factor: 6.567
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Lin L-L, Chen Y-Y, Chi M-C, Merlino A
* Low resolution X-ray structure of γ-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion (511 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014; 1844(9): 1523-1529.
Impact Factor: 4.882
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Vergara A, Russo Krauss I, Montesarchio D, Paduano L, Merlino A
* Investigating the Ruthenium Metalation of Proteins: X-ray Structure and Raman Microspectroscopy of the Complex between RNase A and AziRu (309 views)
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2013 Oct 7; 52(19): 10714-10716.
Impact Factor: 4.794
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Pica A, Merlino A, Buell AK, Knowles TJ, Pizzo E, D'Alessio G, Sica F, Mazzarella L
* Three-dimensional domain swapping and supramolecular protein assembly: insights from the X-ray structure of a dimeric swapped variant of human pancreatic RNase (961 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Oct; 69: 2116-2123.
Impact Factor: 7.232
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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 (652 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jun; 69(6): 1150-1159.
Impact Factor: 7.232
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Vergara A, D’Errico G, Montesarchio D, Mangiapia G, Paduano L, Merlino A
* Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-ray Structures and Raman Microscopy Studies of the Adduct between Hen Egg White Lysozyme and AziRu (352 views)
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2013 Apr 15; 52(8): 4157-4159.
Impact Factor: 4.794
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Vergara A, Montesarchio D, Russo Krauss I, Paduano L, Merlino A
* Investigating The Ruthenium Metallation Of Proteins: X-Ray Structure And Raman Microspectroscopy Of The Complex Between Rnase A And Aziru (293 views)
Inorg Chem (ISSN: 0020-1669, 1520-510xe, 1520-510xelectronic), 2013; 52(19): 10714-10716.
Impact Factor: 4.794
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Coppola D, Abbruzzetti S, Nicoletti F, Merlino A, Gambacurta A, Giordano D, Howes BD, De Sanctis G, Vitagliano L, Bruno S, di Prisco G, Mazzarella L, Smulevich G, Coletta M, Viappiani C, Vergara A, Verde C
* ATP regulation of the ligand-binding properties in temperate and cold-adapted haemoglobins. X-ray structure and ligand-binding kinetics in the sub-Antarctic fish Eleginops maclovinus (343 views)
Molecular Biosystems (ISSN: 1742-206x), 2012 Oct 30; 8(12): 3295-3304.
Impact Factor: 3.35
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Diana D, Basile A, De Rosa L, Di Stasi R, Auriemma S, Arra C, Pedone C, Turco MC, Fattorusso R, D'Andrea LD
* Beta-Hairpin Peptide That Targets Vascular Endothelial Growth Factor (vegf) Receptors: Design, Nmr Characterization, And Biological Activity (620 views)
Jbc Papers (ISSN: 1083-351x, 0021-9258, 0021-9258linking), 2011 Dec 2; 286(48): 41680-41691.
Impact Factor: 4.773
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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 (338 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2011; 47(42): 11636-11638.
Impact Factor: 6.169
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Puglisi A, Rizzarelli E, Vecchio G, Iacovino R, Benedetti E, Pedone C, Saviano M
* Crystal And Molecular Structure Of Beta-Cyclodextrins Functionalized With The Anti-Inflammatory Drug Etodolac (420 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1227-1235.
Impact Factor: 2.605
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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 (480 views)
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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Verde C, Vergara A, Mazzarella L, Di Prisco G
* The Hemoglobins of Fishes Living at Polar Latitudes - Current Knowledge on Structural Adaptations in a Changing Environment (389 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2008 Dec; 9(6): 578-590.
Impact Factor: 3.011
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Esposito L, Seydel A, Aiello R, Sorrentino G, Cendron L, Zanotti G, Zagari
* The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension (425 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2008 Nov; 1784(11): 1601-1606.
Impact Factor: 2.233
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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 (385 views)
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 (360 views)
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 (463 views)
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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Merlino A, Sica F, Mazzarella L
* Approximate values for force constant and wave number associated with a low-frequency concerted motion in proteins can be evaluated by a comparison of X-ray structures (214 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2007 May 17; 111(19): 5483-5486.
Impact Factor: 4.086
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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 (411 views)
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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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 (933 views)
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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Pailot A, D'Ambrosio K, Corbier C, Talfournier F, Branlant G
* Invariant Thr(244) is essential for the efficient acylation step of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase from Streptococcus mutans (338 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2006 Dec 15; 400: 521-530.
Impact Factor: 4.1
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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 (476 views)
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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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 (498 views)
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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Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (442 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.
Impact Factor: 5.854
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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 (438 views)
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 (489 views)
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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Riccio A, Vitagliano L, Di Prisco G, Zagari A, Mazzarella L
* The crystal structure of a tetrameric hemoglobin in a partial hemichrome state (553 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2002 Jul 23; 99(15): 9801-9806.
Impact Factor: 10.7
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Berisio R, Vitagliano L, Mazzarella L, Zagari A
* Crystal structure of the collagen triple helix model [(Pro-Pro-Gly)10]3 (645 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2002 Feb; 11(2): 262-270.
Impact Factor: 3.546
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Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
* Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism (439 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.
Impact Factor: 4.326
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Romanelli A, Garella I, Menchise V, Iacovino R, Saviano M, Montesarchio D, Didierjean C, Lello PD, Rossi F, Benedetti E
* Crystal-state conformation of Cα, α-dialkylated peptides containing chiral β-homo-residues (515 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001; 7(1): 15-26.
Impact Factor: 1.451
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Vitagliano L, Merlino A, Zagari A, Mazzarella L
Productive and nonproductive binding to ribonuclease A: X-ray structure of two complexes with uridylyl(2 ', 5 ')guanosine (680 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2000 Jun; 9(6): 1217-1225.
Impact Factor: 3.869
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Berisio R, Vitagliano L, Mazzarella L, Zagari A
Crystal Structure Of A Collagen-Like Polypeptide With Repeating Sequence Pro-Hyp-Gly At 1. 4 Ang Resolution: Implications For Collagen Hydration (437 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 8-13.
Impact Factor: 2.405
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Mazzarella L, D'Avino R, Di Prisco G, Savino C, Vitagliano L, Moody P, Zagari A
Crystal structure of Trematomus newnesi haemoglobin re-opens the Root effect question (435 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Apr 16; 287(5): 897-906.
Impact Factor: 5.501
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Vitagliano L, Adinolfi S, Riccio A, Sica F, Zagari A, Mazzarella L
Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2 ', 5 ')adenosine (465 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Sep; 7(8): 1691-1699.
Impact Factor: 4.44
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* Molecular Basis of the Therapeutical Potential of Clove (Syzygium aromaticum L. ) and Clues to Its Anti-COVID-19 Utility (78 views)
Molecules (ISSN: 1420-3049linking, 1420-3049electronic), 2021 Mar 26; 26(7): 1880-1886.
Impact Factor: 4.411
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D’ambrosio K, Di Fiore A, Buonanno M, Kumari S, Tiwari M, Supuran CT, Mishra CB, Monti SM, De Simone G
* The crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development (84 views)
New Journal Of Chemistry, 2021; 45: 147-152.
Impact Factor: 3.288
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Nocentini A, Alterio V, Bua S, Micheli L, Esposito D, Buonanno M, Bartolucci G, Osman SM, Alothman ZA, Cirilli R, Pierini M, Monti SM, Di Cesare Mannelli L, Gratteri P, Ghelardini C, De Simone G, Supuran CT
* Phenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy (112 views)
J Med Chem (ISSN: 0022-2623linking, 0022-2623print), 2020 May 28; 63(10): 5185-5200.
Impact Factor: 6.205
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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 (327 views)
Eur J Med Chem (ISSN: 1768-3254electronic, 0223-5234linking), 2019 Feb 1; 163: 443-452.
Impact Factor: 4.833
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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 (533 views)
J Enzym Inhib Med Ch (ISSN: 1475-6374electronic, 1475-6366linking), 2018 Dec; 33(1): 151-157.
Impact Factor: 4.293
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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 (235 views)
Eur J Med Chem (ISSN: 0223-5234linking, 1768-3254electronic), 2018 Aug 5; 156: 430-443.
Impact Factor: 4.816
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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 (364 views)
J Enzym Inhib Med Ch (ISSN: 1475-6366, 1475-6374electronic, 1475-6366linking), 2017 Dec; 32(1): 5-12.
Impact Factor: 3.638
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Pontillo N, Ferraro G, Helliwell JR, Amoresano A, Merlino A
* X-ray Structure of the Carboplatin-Loaded Apo-Ferritin Nanocage (236 views)
Acs Med Chem Lett (ISSN: 1948-5875, 1948-5875linking), 2017 Feb 28; 8(4): 433-437.
Impact Factor: 3.794
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Tamasi G, Merlino A, Scaletti F, Heffeter P, Legin AA, Jakupec MA, Berger W, Messori L, Keppler BK, Cini R
* {Ru(CO)x}-Core complexes with benzimidazole ligands: synthesis, X-ray structure and evaluation of anticancer activity in vivo (313 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2017 Feb 28; 46(9): 3025-3040.
Impact Factor: 4.099
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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 (302 views)
Bioorg Med Chem (ISSN: 0968-0896, 1464-3391, 0968-0896linking), 2017 Feb 15; 25(4): 1456-1464.
Impact Factor: 2.881
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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 (336 views)
Chemistry (ISSN: 0947-6539, 1521-3765, 1521-3765electronic), 2016 Jan 4; 22(1): 97-100.
Impact Factor: 5.317
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Messori L, Merlino A
* Cisplatin binding to proteins: A structural perspective (626 views)
Coord Chem Rev (ISSN: 0010-8545), 2016; 315: 67-89.
Impact Factor: 13.324
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Supuran CT, Capasso C, De Simone G
* Carbonic Anhydrase II as Target for Drug Design (262 views)
Carbonic Anhydrases As Biocatalysts, 2015 Jan 08; N/D: 51-90.
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 (481 views) (PDF 237 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015 Jan 7; 51(2): 302-305.
Impact Factor: 6.567
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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 (312 views)
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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Milardi D, Pappalardo M
* Molecular dynamics: New advances in drug discovery (433 views)
Eur J Med Chem (ISSN: 0223-5234, 1768-3254, 0223-5234linking), 2015; 91: 1-3.
Impact Factor: 3.902
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Marasco D, Messori L, Marzo T, Merlino A
* Oxaliplatin vs. cisplatin: Competition experiments on their binding to lysozyme (724 views)
Dalton T (ISSN: 1477-9226, 1477-9234, 1477-9226linking), 2015; 44(22): 10392-10398.
Impact Factor: 4.177
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Scognamiglio PL, Morelli G, Marasco D
* Synthetic and structural routes for the rational conversion of peptides into small molecules (474 views)
Methods Mol Biol (ISSN: 1064-3745, 1940-6029electronic, 1064-3745linking), 2015; 1268: 159-193.
Impact Factor: 3.221
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Ferraro G, Messori L, Merlino A
* The X-ray structure of the primary adducts formed in the reaction between cisplatin and cytochrome (323 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2015; 51(13): 2559-2561.
Impact Factor: 6.567
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Lin L-L, Chen Y-Y, Chi M-C, Merlino A
* Low resolution X-ray structure of γ-glutamyltranspeptidase from Bacillus licheniformis: Opened active site cleft and a cluster of acid residues potentially involved in the recognition of a metal ion (511 views)
Bba-Gen Subjects (ISSN: 0925-4439, 0006-3002, 1570-9639), 2014; 1844(9): 1523-1529.
Impact Factor: 4.882
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Vergara A, Russo Krauss I, Montesarchio D, Paduano L, Merlino A
* Investigating the Ruthenium Metalation of Proteins: X-ray Structure and Raman Microspectroscopy of the Complex between RNase A and AziRu (309 views)
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2013 Oct 7; 52(19): 10714-10716.
Impact Factor: 4.794
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Pica A, Merlino A, Buell AK, Knowles TJ, Pizzo E, D'Alessio G, Sica F, Mazzarella L
* Three-dimensional domain swapping and supramolecular protein assembly: insights from the X-ray structure of a dimeric swapped variant of human pancreatic RNase (961 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Oct; 69: 2116-2123.
Impact Factor: 7.232
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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 (652 views)
Acta Crystallogr D Biol Crystallogr (ISSN: 0907-4449, 0907-4449linking), 2013 Jun; 69(6): 1150-1159.
Impact Factor: 7.232
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Vergara A, D’Errico G, Montesarchio D, Mangiapia G, Paduano L, Merlino A
* Interaction of Anticancer Ruthenium Compounds with Proteins: High-Resolution X-ray Structures and Raman Microscopy Studies of the Adduct between Hen Egg White Lysozyme and AziRu (352 views)
Inorg Chem (ISSN: 0020-1669, 1520-510x, 1520-510xelectronic), 2013 Apr 15; 52(8): 4157-4159.
Impact Factor: 4.794
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Vergara A, Montesarchio D, Russo Krauss I, Paduano L, Merlino A
* Investigating The Ruthenium Metallation Of Proteins: X-Ray Structure And Raman Microspectroscopy Of The Complex Between Rnase A And Aziru (293 views)
Inorg Chem (ISSN: 0020-1669, 1520-510xe, 1520-510xelectronic), 2013; 52(19): 10714-10716.
Impact Factor: 4.794
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Coppola D, Abbruzzetti S, Nicoletti F, Merlino A, Gambacurta A, Giordano D, Howes BD, De Sanctis G, Vitagliano L, Bruno S, di Prisco G, Mazzarella L, Smulevich G, Coletta M, Viappiani C, Vergara A, Verde C
* ATP regulation of the ligand-binding properties in temperate and cold-adapted haemoglobins. X-ray structure and ligand-binding kinetics in the sub-Antarctic fish Eleginops maclovinus (343 views)
Molecular Biosystems (ISSN: 1742-206x), 2012 Oct 30; 8(12): 3295-3304.
Impact Factor: 3.35
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Diana D, Basile A, De Rosa L, Di Stasi R, Auriemma S, Arra C, Pedone C, Turco MC, Fattorusso R, D'Andrea LD
* Beta-Hairpin Peptide That Targets Vascular Endothelial Growth Factor (vegf) Receptors: Design, Nmr Characterization, And Biological Activity (620 views)
Jbc Papers (ISSN: 1083-351x, 0021-9258, 0021-9258linking), 2011 Dec 2; 286(48): 41680-41691.
Impact Factor: 4.773
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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 (338 views)
Chem Commun (ISSN: 1359-7345, 1364-548x, 1364-548xelectronic), 2011; 47(42): 11636-11638.
Impact Factor: 6.169
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Puglisi A, Rizzarelli E, Vecchio G, Iacovino R, Benedetti E, Pedone C, Saviano M
* Crystal And Molecular Structure Of Beta-Cyclodextrins Functionalized With The Anti-Inflammatory Drug Etodolac (420 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2009 Dec; 91(12): 1227-1235.
Impact Factor: 2.605
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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 (480 views)
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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Verde C, Vergara A, Mazzarella L, Di Prisco G
* The Hemoglobins of Fishes Living at Polar Latitudes - Current Knowledge on Structural Adaptations in a Changing Environment (389 views)
Curr Protein Pept Sci (ISSN: 1389-2037, 1389-2037linking), 2008 Dec; 9(6): 578-590.
Impact Factor: 3.011
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Esposito L, Seydel A, Aiello R, Sorrentino G, Cendron L, Zanotti G, Zagari
* The crystal structure of the superoxide dismutase from Helicobacter pylori reveals a structured C-terminal extension (425 views)
Bba-Gen Subjects (ISSN: 1570-9639, 0006-3002, 0925-4439), 2008 Nov; 1784(11): 1601-1606.
Impact Factor: 2.233
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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 (385 views)
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 (360 views)
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 (463 views)
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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Merlino A, Sica F, Mazzarella L
* Approximate values for force constant and wave number associated with a low-frequency concerted motion in proteins can be evaluated by a comparison of X-ray structures (214 views)
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2007 May 17; 111(19): 5483-5486.
Impact Factor: 4.086
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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 (411 views)
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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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 (933 views)
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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Pailot A, D'Ambrosio K, Corbier C, Talfournier F, Branlant G
* Invariant Thr(244) is essential for the efficient acylation step of the non-phosphorylating glyceraldehyde-3-phosphate dehydrogenase from Streptococcus mutans (338 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2006 Dec 15; 400: 521-530.
Impact Factor: 4.1
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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 (476 views)
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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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 (498 views)
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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Merlino A, Mazzarella L, Carannante A, Di Fiore A, Di Donato A, Notomista E, Sica F
* The importance of dynamic effects on the enzyme activity: X-ray structure and molecular dynamics of onconase mutants (442 views)
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 May 6; 280(18): 17953-17960.
Impact Factor: 5.854
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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 (438 views)
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 (489 views)
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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Riccio A, Vitagliano L, Di Prisco G, Zagari A, Mazzarella L
* The crystal structure of a tetrameric hemoglobin in a partial hemichrome state (553 views)
P Natl Acad Sci Usa (ISSN: 0027-8424, 1091-6490, 0027-8424print), 2002 Jul 23; 99(15): 9801-9806.
Impact Factor: 10.7
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Berisio R, Vitagliano L, Mazzarella L, Zagari A
* Crystal structure of the collagen triple helix model [(Pro-Pro-Gly)10]3 (645 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2002 Feb; 11(2): 262-270.
Impact Factor: 3.546
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Menchise V, Corbier C, Didierjean C, Saviano M, Benedetti E, Jacquot JP, Aubry A
* Crystal structure of the wild-type and D30A mutant thioredoxin h of Chlamydomonas reinhardtii and implications for the catalytic mechanism (439 views)
Biochem J (ISSN: 0264-6021, 1470-8728electronic, 0264-6021linking), 2001 Oct 1; 359(1): 65-75.
Impact Factor: 4.326
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Romanelli A, Garella I, Menchise V, Iacovino R, Saviano M, Montesarchio D, Didierjean C, Lello PD, Rossi F, Benedetti E
* Crystal-state conformation of Cα, α-dialkylated peptides containing chiral β-homo-residues (515 views)
J Pept Sci (ISSN: 1075-2617, 1099-1387, 1075-2617print), 2001; 7(1): 15-26.
Impact Factor: 1.451
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Vitagliano L, Merlino A, Zagari A, Mazzarella L
Productive and nonproductive binding to ribonuclease A: X-ray structure of two complexes with uridylyl(2 ', 5 ')guanosine (680 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 2000 Jun; 9(6): 1217-1225.
Impact Factor: 3.869
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Berisio R, Vitagliano L, Mazzarella L, Zagari A
Crystal Structure Of A Collagen-Like Polypeptide With Repeating Sequence Pro-Hyp-Gly At 1. 4 Ang Resolution: Implications For Collagen Hydration (437 views)
Biopolymers (ISSN: 0006-3525, 0006-6352, 0006-3525print), 2000; 56(1): 8-13.
Impact Factor: 2.405
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Mazzarella L, D'Avino R, Di Prisco G, Savino C, Vitagliano L, Moody P, Zagari A
Crystal structure of Trematomus newnesi haemoglobin re-opens the Root effect question (435 views)
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 1999 Apr 16; 287(5): 897-906.
Impact Factor: 5.501
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Vitagliano L, Adinolfi S, Riccio A, Sica F, Zagari A, Mazzarella L
Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2 ', 5 ')adenosine (465 views)
Protein Sci (ISSN: 0961-8368, 1469-896xelectronic), 1998 Sep; 7(8): 1691-1699.
Impact Factor: 4.44
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52 Records (51 excluding Abstracts).
Total impact factor: 232.163 (227.048 excluding Abstracts).
Total 5 year impact factor: 226.117 (220.613 excluding Abstracts).
Total impact factor: 232.163 (227.048 excluding Abstracts).
Total 5 year impact factor: 226.117 (220.613 excluding Abstracts).
378 views. Last view on Thursday 02 February 2023, 18:08:59
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