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

Autor: Emma Langella, Vincenzo Alterio, Katia D’Ambrosio, Roberta Cadoni, Jean-Yves Winum, Claudiu T. Supuran, Simona Maria Monti, Giuseppina De Simone, Anna Di Fiore

Publikováno v: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 34, Iss 1, Pp 1498-1505 (2019)

Recent studies identified the benzoxaborole moiety as a new zinc-binding group able to interact with carbonic anhydrase (CA) active site. Here, we report a structural analysis of benzoxaboroles containing urea/thiourea groups, showing that these mole

Externí odkaz: https://doaj.org/article/83251cf196c344de85ae41f9443a013d

Benzoxaboroles: New Potent Inhibitors of the Carbonic Anhydrases of the Pathogenic Bacterium

Autor: Alessandro, Bonardi, Alessio, Nocentini, Roberta, Cadoni, Sonia, Del Prete, Pascal, Dumy, Clemente, Capasso, Paola, Gratteri, Claudiu T, Supuran, Jean-Yves, Winum

Publikováno v: ACS Med Chem Lett

[Image: see text] A series of urea/thiourea substituted benzoxaboroles was investigated for the inhibition of the three carbonic anhydrases encoded by Vibrio cholerae (VchCAα, VchCAβ, and VchCAγ). In particular, benzoxaborole derivatives were here

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::d7ff5d627dd4483cbfff03fc53b60176
https://pubmed.ncbi.nlm.nih.gov/33214840

Carbonic anhydrases fromTrypanosoma cruziandLeishmania donovani chagasiare inhibited by benzoxaboroles

Autor: Jean-Yves Winum, Claudiu T. Supuran, Alessio Nocentini, Roberta Cadoni, Pascal Dumy

Publikováno v: Journal of Enzyme Inhibition and Medicinal Chemistry, Vol 33, Iss 1, Pp 286-289 (2018)
Journal of Enzyme Inhibition and Medicinal Chemistry

A series of 6-substituted ureido- and thioureido-benzoxaboroles were investigated as inhibitors of carbonic anhydrases from Trypanosoma cruzi (TcCA), and Leishmania donovani chagasi (LdcCA). Both enzymes were inhibited by benzoxaboroles in the microm

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fce55b710dd327a52d2838db32b9b82c
https://doi.org/10.1080/14756366.2017.1414808

Benzoxaborole as a new chemotype for carbonic anhydrase inhibition

Autor: Claudiu T. Supuran, Andrea Caporale, Vincenzo Alterio, Pascal Dumy, Roberta Cadoni, Daniela Vullo, Mario Sechi, Menotti Ruvo, Anna Di Fiore, Simona Maria Monti, Giuseppina De Simone, Jean-Yves Winum, Davide Esposito

Publikováno v: Chemical communications (Lond., 1996, Print) 52 (2016): 11983–11986. doi:10.1039/c6cc06399c
info:cnr-pdr/source/autori:Alterio, Vincenzo; Cadoni, Roberta; Esposito, Davide; Vullo, Daniela; Di Fiore, Anna; Monti, Simona Maria; Caporale, Andrea; Ruvo, Menotti; Sechi, Mario; Dumy, Pascal; Supuran, Claudiu T.; De Simone, Giuseppina; Winum, Jean-Yves/titolo:Benzoxaborole as a new chemotype for carbonic anhydrase inhibition/doi:10.1039%2Fc6cc06399c/rivista:Chemical communications (Lond., 1996, Print)/anno:2016/pagina_da:11983/pagina_a:11986/intervallo_pagine:11983–11986/volume:52

In this paper we report the synthesis of a series of benzoxaborole derivatives, their inhibition properties against some carbonic anhydrases (CAs), recognized as important drug targets, and the characterization of the binding mode of these molecules

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a2b3ed08279746856bbe29b82ab4ea77
https://doi.org/10.1039/c6cc06399c

Benzoxaboroles as efficient inhibitors of the b-carbonic anhydrases from pathogenic fungi: activity and modelling study

Autor: Jean-Yves Winum, Alessio Nocentini, Clemente Capasso, Sonia Del Prete, Pascal Dumy, Claudiu T. Supuran, Paola Gratteri, Roberta Cadoni

Publikováno v: ACS medicinal chemistry letters (2017). doi:10.1021/acsmedchemlett.7b00369
info:cnr-pdr/source/autori:Alessio Nocentini, Roberta Cadoni, Sonia del Prete, Clemente Capasso, Pascal Dumy, Paola Gratteri, Claudiu T Supuran, Jean-Yves Winum/titolo:Benzoxaboroles as efficient inhibitors of the b-carbonic anhydrases from pathogenic fungi: activity and modelling study./doi:10.1021%2Facsmedchemlett.7b00369/rivista:ACS medicinal chemistry letters/anno:2017/pagina_da:/pagina_a:/intervallo_pagine:/volume

A series of 6-substituted benzoxaboroles were investigated as inhibitors of the β-class carbonic anhydrase from three pathogenic fungi (Cryptococcus neoformans, Candida glabrata, and Malassezia globosa). Independently from the nature of the substitu

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::64a22da57531639149ad73a9753760ee
https://publications.cnr.it/doc/378091