De Simone G - Search Results

1

Biochemical characterization of CA IX, one of the most active carbonic anhydrase isozymes.

Hilvo M, Baranauskiene L, Salzano AM, Scaloni A, Matulis D, Innocenti A, Scozzafava A, Monti SM, Di Fiore A, De Simone G, Lindfors M, Jänis J, Valjakka J, Pastoreková S, Pastorek J, Kulomaa MS, Nordlund HR, Supuran CT, Parkkila S. Hilvo M, et al. Among authors: de simone g. J Biol Chem. 2008 Oct 10;283(41):27799-27809. doi: 10.1074/jbc.M800938200. Epub 2008 Aug 13. J Biol Chem. 2008. PMID: 18703501 Free article.

2

Design of weakly basic thrombin inhibitors incorporating novel P1 binding functions: molecular and X-ray crystallographic studies.

De Simone G, Menchise V, Omaggio S, Pedone C, Scozzafava A, Supuran CT. De Simone G, et al. Biochemistry. 2003 Aug 5;42(30):9013-21. doi: 10.1021/bi020512l. Biochemistry. 2003. PMID: 12885234

3

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.

Di Fiore A, De Simone G, Menchise V, Pedone C, Casini A, Scozzafava A, Supuran CT. Di Fiore A, et al. Among authors: de simone g. Bioorg Med Chem Lett. 2005 Apr 1;15(7):1937-42. doi: 10.1016/j.bmcl.2005.01.086. Bioorg Med Chem Lett. 2005. PMID: 15780637

4

Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies.

De Simone G, Di Fiore A, Menchise V, Pedone C, Antel J, Casini A, Scozzafava A, Wurl M, Supuran CT. De Simone G, et al. Bioorg Med Chem Lett. 2005 May 2;15(9):2315-20. doi: 10.1016/j.bmcl.2005.03.032. Bioorg Med Chem Lett. 2005. PMID: 15837316

5

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.

Menchise V, De Simone G, Alterio V, Di Fiore A, Pedone C, Scozzafava A, Supuran CT. Menchise V, et al. Among authors: de simone g. J Med Chem. 2005 Sep 8;48(18):5721-7. doi: 10.1021/jm050333c. J Med Chem. 2005. PMID: 16134940

6

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.

Di Fiore A, Pedone C, D'Ambrosio K, Scozzafava A, De Simone G, Supuran CT. Di Fiore A, et al. Among authors: de simone g. Bioorg Med Chem Lett. 2006 Jan 15;16(2):437-42. doi: 10.1016/j.bmcl.2005.09.040. Epub 2005 Nov 14. Bioorg Med Chem Lett. 2006. PMID: 16290146

7

Carbonic anhydrase inhibitors: X-ray and molecular modeling study for the interaction of a fluorescent antitumor sulfonamide with isozyme II and IX.

Alterio V, Vitale RM, Monti SM, Pedone C, Scozzafava A, Cecchi A, De Simone G, Supuran CT. Alterio V, et al. Among authors: de simone g. J Am Chem Soc. 2006 Jun 28;128(25):8329-35. doi: 10.1021/ja061574s. J Am Chem Soc. 2006. PMID: 16787097

8

Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX.

De Simone G, Vitale RM, Di Fiore A, Pedone C, Scozzafava A, Montero JL, Winum JY, Supuran CT. De Simone G, et al. J Med Chem. 2006 Sep 7;49(18):5544-51. doi: 10.1021/jm060531j. J Med Chem. 2006. PMID: 16942027

9

Carbonic anhydrase inhibitors: X-ray crystallographic studies for the binding of 5-amino-1,3,4-thiadiazole-2-sulfonamide and 5-(4-amino-3-chloro-5-fluorophenylsulfonamido)-1,3,4-thiadiazole-2-sulfonamide to human isoform II.

Menchise V, De Simone G, Di Fiore A, Scozzafava A, Supuran CT. Menchise V, et al. Among authors: de simone g. Bioorg Med Chem Lett. 2006 Dec 15;16(24):6204-8. doi: 10.1016/j.bmcl.2006.09.022. Epub 2006 Sep 26. Bioorg Med Chem Lett. 2006. PMID: 17000110

10

2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity.

Leese MP, Leblond B, Smith A, Newman SP, Di Fiore A, De Simone G, Supuran CT, Purohit A, Reed MJ, Potter BV. Leese MP, et al. Among authors: de simone g. J Med Chem. 2006 Dec 28;49(26):7683-96. doi: 10.1021/jm060705x. J Med Chem. 2006. PMID: 17181151

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