The first zinc-bindinggroup(ZBG)to havebeenidentifiedas inhibitorof the metallo-enzymescarbonican-hydrases(CA,EC 4.2.1.1)was the sulfonamide.Fromthenon severalclassesof zinc-bindershave beendescribed.This workreportsthe benzenephosponamidatesas anewchiralaromaticsulfonamide-mimicZBGableto meettherequirements for effectivelybindingthe enzymeactivesite. Several low micromolar CA I, II, VII, IX inhibitors werethusdetected. Kineticstudies,QM-polarizedliganddock-ing, and MM-GBSAin silicomethods wereusedto charac-terizethis newlyidentifiedCA inhibitor chemotype
Phosphorus versus Sulfur: Discovery of Benzenephosphonamidates as Versatile Sulfonamide-Mimic Chemotypes Acting as Carbonic Anhydrase Inhibitors / Nocentini, Alessio; Gratteri, Paola*; Supuran, Claudiu T.. - In: CHEMISTRY-A EUROPEAN JOURNAL. - ISSN 0947-6539. - STAMPA. - 25:(2019), pp. 1188-1192. [10.1002/chem.201805039]
Phosphorus versus Sulfur: Discovery of Benzenephosphonamidates as Versatile Sulfonamide-Mimic Chemotypes Acting as Carbonic Anhydrase Inhibitors
Nocentini, Alessio;Gratteri, Paola
;Supuran, Claudiu T.
2019
Abstract
The first zinc-bindinggroup(ZBG)to havebeenidentifiedas inhibitorof the metallo-enzymescarbonican-hydrases(CA,EC 4.2.1.1)was the sulfonamide.Fromthenon severalclassesof zinc-bindershave beendescribed.This workreportsthe benzenephosponamidatesas anewchiralaromaticsulfonamide-mimicZBGableto meettherequirements for effectivelybindingthe enzymeactivesite. Several low micromolar CA I, II, VII, IX inhibitors werethusdetected. Kineticstudies,QM-polarizedliganddock-ing, and MM-GBSAin silicomethods wereusedto charac-terizethis newlyidentifiedCA inhibitor chemotype
| File | Dimensione | Formato | |
|---|---|---|---|
|
95.Nocentini_ChemEurJ2019.pdf
Accesso chiuso
Tipologia:
Altro
Licenza:
Tutti i diritti riservati
Dimensione
709.1 kB
Formato
Adobe PDF
|
709.1 kB | Adobe PDF | Richiedi una copia |
I documenti in FLORE sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
