Literature DB >> 26507456

A Combined Crystallographic and Theoretical Study Explains the Capability of Carboxylic Acids to Adopt Multiple Binding Modes in the Active Site of Carbonic Anhydrases.

Emma Langella1, Katia D'Ambrosio2, Melissa D'Ascenzio3, Simone Carradori4, Simona M Monti1, Claudiu T Supuran5,6, Giuseppina De Simone7.   

Abstract

Carboxylates are the least investigated class of inhibitors of carbonic anhydrases (CAs). Here we explain the versatility of binding of these molecules to CAs by examining a new adduct of hCA II with N-carboxymethyl-saccharin.
© 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Entities:  

Keywords:  X-ray structures; carbonic anhydrases; drug design; inhibitors; theoretical calculations

Mesh：

Substances：

Year:  2015        PMID： 26507456     DOI： 10.1002/chem.201503748

Source DB:  PubMed          Journal:  Chemistry        ISSN： 0947-6539            Impact factor:   5.236


  13 in total

1.  Exploring Heteroaryl-pyrazole Carboxylic Acids as Human Carbonic Anhydrase XII Inhibitors.

Authors:  Roberta Cadoni; Nicolino Pala; Carrie Lomelino; Brian P Mahon; Robert McKenna; Roberto Dallocchio; Alessandro Dessì; Mauro Carcelli; Dominga Rogolino; Vanna Sanna; Mauro Rassu; Ciro Iaccarino; Daniela Vullo; Claudiu T Supuran; Mario Sechi
Journal:  ACS Med Chem Lett       Date:  2017-07-31       Impact factor: 4.345

2.  α,γ-Diketocarboxylic Acids and Their Esters Act as Carbonic Anhydrase IX and XII Selective Inhibitors.

Authors:  Alessio Nocentini; Alessia Lucidi; Francesca Perut; Annamaria Massa; Daniela Tomaselli; Paola Gratteri; Nicola Baldini; Dante Rotili; Antonello Mai; Claudiu T Supuran
Journal:  ACS Med Chem Lett       Date:  2019-02-19       Impact factor: 4.345

3.  Carbonic anhydrase II in complex with carboxylic acid-based inhibitors.

Authors:  Carrie L Lomelino; Robert McKenna
Journal:  Acta Crystallogr F Struct Biol Commun       Date:  2019-02-20       Impact factor: 1.056

Review 4.  Non-Classical Inhibition of Carbonic Anhydrase.

Authors:  Carrie L Lomelino; Claudiu T Supuran; Robert McKenna
Journal:  Int J Mol Sci       Date:  2016-07-16       Impact factor: 5.923

5.  Open saccharin-based secondary sulfonamides as potent and selective inhibitors of cancer-related carbonic anhydrase IX and XII isoforms.

Authors:  Melissa D'Ascenzio; Paolo Guglielmi; Simone Carradori; Daniela Secci; Rosalba Florio; Adriano Mollica; Mariangela Ceruso; Atilla Akdemir; Anatoly P Sobolev; Claudiu T Supuran
Journal:  J Enzyme Inhib Med Chem       Date:  2016-10-26       Impact factor: 5.051

6.  Sulphonamide inhibition studies of the β-carbonic anhydrase from the bacterial pathogen Clostridium perfringens.

Authors:  Daniela Vullo; R Siva Sai Kumar; Andrea Scozzafava; James G Ferry; Claudiu T Supuran
Journal:  J Enzyme Inhib Med Chem       Date:  2018-12       Impact factor: 5.051

7.  Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.

Authors:  Emma Langella; Vincenzo Alterio; Katia D'Ambrosio; Roberta Cadoni; Jean-Yves Winum; Claudiu T Supuran; Simona Maria Monti; Giuseppina De Simone; Anna Di Fiore
Journal:  J Enzyme Inhib Med Chem       Date:  2019-12       Impact factor: 5.051

8.  Discovery of curcumin inspired sulfonamide derivatives as a new class of carbonic anhydrase isoforms I, II, IX, and XII inhibitors.

Authors:  P V Sri Ramya; Srinivas Angapelly; Andrea Angeli; Chander Singh Digwal; Mohammed Arifuddin; Bathini Nagendra Babu; Claudiu T Supuran; Ahmed Kamal
Journal:  J Enzyme Inhib Med Chem       Date:  2017-12       Impact factor: 5.051

Review 9.  Cancer Drug Development of Carbonic Anhydrase Inhibitors beyond the Active Site.

Authors:  Srishti Singh; Carrie L Lomelino; Mam Y Mboge; Susan C Frost; Robert McKenna
Journal:  Molecules       Date:  2018-04-30       Impact factor: 4.411

10.  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.

Authors:  Vincenzo Alterio; Davide Esposito; Simona Maria Monti; Claudiu T Supuran; Giuseppina De Simone
Journal:  J Enzyme Inhib Med Chem       Date:  2018-12       Impact factor: 5.051
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