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Research Paper

Insights into the binding mode of sulphamates and sulphamides to hCA II: crystallographic studies and binding free energy calculations

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Pages 1002-1011 | Received 22 May 2017, Accepted 29 Jun 2017, Published online: 24 Jul 2017

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Claudiu T. Supuran, Alessio Nocentini, Elena Yakubova, Nikolay Savchuk, Stanislav Kalinin & Mikhail Krasavin. (2021) Biochemical profiling of anti-HIV prodrug Elsulfavirine (Elpida®) and its active form VM1500A against a panel of twelve human carbonic anhydrase isoforms. Journal of Enzyme Inhibition and Medicinal Chemistry 36:1, pages 1056-1060.
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Mehmet Oguz, Erbay Kalay, Suleyman Akocak, Alessio Nocentini, Nebih Lolak, Mehmet Boga, Mustafa Yilmaz & Claudiu T. Supuran. (2020) Synthesis of calix[4]azacrown substituted sulphonamides with antioxidant, acetylcholinesterase, butyrylcholinesterase, tyrosinase and carbonic anhydrase inhibitory action. Journal of Enzyme Inhibition and Medicinal Chemistry 35:1, pages 1215-1223.
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Ashok Aspatwar, Nanda Kumar Parvathaneni, Harlan Barker, Emilie Anduran, Claudiu T. Supuran, Ludwig Dubois, Philippe Lambin, Seppo Parkkila & Jean-Yves Winum. (2020) Design, synthesis, in vitro inhibition and toxicological evaluation of human carbonic anhydrases I, II and IX inhibitors in 5-nitroimidazole series. Journal of Enzyme Inhibition and Medicinal Chemistry 35:1, pages 109-117.
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Emma Langella, Vincenzo Alterio, Katia D’Ambrosio, Roberta Cadoni, Jean-Yves Winum, Claudiu T. Supuran, Simona Maria Monti, Giuseppina De Simone & Anna Di Fiore. (2019) Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity. Journal of Enzyme Inhibition and Medicinal Chemistry 34:1, pages 1498-1505.
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Andrea Angeli, Sonia Del Prete, Mariana Pinteala, Stelian S. Maier, William A. Donald, Bogdan C. Simionescu, Clemente Capasso & Claudiu T. Supuran. (2019) The first activation study of the β-carbonic anhydrases from the pathogenic bacteria Brucella suis and Francisella tularensis with amines and amino acids. Journal of Enzyme Inhibition and Medicinal Chemistry 34:1, pages 1178-1185.
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Alessandra Ammazzalorso, Simone Carradori, Andrea Angeli, Atilla Akdemir, Barbara De Filippis, Marialuigia Fantacuzzi, Letizia Giampietro, Cristina Maccallini, Rosa Amoroso & Claudiu T. Supuran. (2019) Fibrate-based N-acylsulphonamides targeting carbonic anhydrases: synthesis, biochemical evaluation, and docking studies. Journal of Enzyme Inhibition and Medicinal Chemistry 34:1, pages 1051-1061.
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Suleyman Akocak, Nabih Lolak, Silvia Bua & Claudiu T. Supuran. (2018) Discovery of novel 1,3-diaryltriazene sulfonamides as carbonic anhydrase I, II, VII, and IX inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 33:1, pages 1575-1580.
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Alessio Nocentini, Roberta Cadoni, Pascal Dumy, Claudiu T. Supuran & Jean-Yves Winum. (2018) Carbonic anhydrases from Trypanosoma cruzi and Leishmania donovani chagasi are inhibited by benzoxaboroles. Journal of Enzyme Inhibition and Medicinal Chemistry 33:1, pages 286-289.
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Vincenzo Alterio, Davide Esposito, Simona Maria Monti, Claudiu T. Supuran & Giuseppina De Simone. (2018) 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. Journal of Enzyme Inhibition and Medicinal Chemistry 33:1, pages 151-157.
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Carlotta Zoppi, Alessio Nocentini, Claudiu T. Supuran, Alessandro Pratesi & Luigi Messori. (2020) Native mass spectrometry of human carbonic anhydrase I and its inhibitor complexes. JBIC Journal of Biological Inorganic Chemistry 25:7, pages 979-993.
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Vikas Sharma, Rajiv Kumar, Silvia Bua, Claudiu T. Supuran & Pawan K. Sharma. (2019) Synthesis of novel benzenesulfonamide bearing 1,2,3-triazole linked hydroxy-trifluoromethylpyrazolines and hydrazones as selective carbonic anhydrase isoforms IX and XII inhibitors. Bioorganic Chemistry 85, pages 198-208.
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Murat Bozdag, Fabrizio Carta, Andrea Angeli, Sameh M. Osman, Fatmah A.S. Alasmary, Zeid AlOthman & Claudiu T. Supuran. (2018) Synthesis of N′-phenyl-N-hydroxyureas and investigation of their inhibitory activities on human carbonic anhydrases. Bioorganic Chemistry 78, pages 1-6.
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Morteza Abdoli, Murat Bozdag, Andrea Angeli & Claudiu Supuran. (2018) Benzamide-4-Sulfonamides Are Effective Human Carbonic Anhydrase I, II, VII, and IX Inhibitors. Metabolites 8:2, pages 37.
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Andrea Angeli, Damiano Tanini, Antonella Capperucci & Claudiu T. Supuran. (2017) Synthesis of Novel Selenides Bearing Benzenesulfonamide Moieties as Carbonic Anhydrase I, II, IV, VII, and IX Inhibitors. ACS Medicinal Chemistry Letters 8:12, pages 1213-1217.
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