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Hydrophobic Substituents of the Phenylmethylsulfamide Moiety Can Be Used for the Development of New Selective Carbonic Anhydrase Inhibitors
Joint Authors
Ivanova, Jekaterina
Trapencieris, Pēteris
Pizika, Ginta
Monti, Simona Maria
Vozny, Igor
Zalubovskis, Raivis
De Simone, Giuseppina
Di Fiore, Anna
Alterio, Vincenzo
Supuran, Claudiu T.
Source
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-09-02
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Abstract EN
A new series of compounds containing a sulfamide moiety as zinc-binding group (ZBG) has been synthesized and tested for determining inhibitory properties against four human carbonic anhydrase (hCA) isoforms, namely, CAs I, II, IX, and XII.
The X-ray structure of the cytosolic dominant isoform hCA II in complex with the best inhibitor of the series has also been determined providing further insights into sulfamide binding mechanism and confirming that such zinc-binding group, if opportunely derivatized, can be usefully exploited for obtaining new potent and selective CAIs.
The analysis of the structure also suggests that for drug design purposes the but-2-yn-1-yloxy moiety tail emerges as a very interesting substituent of the phenylmethylsulfamide moiety due to its capability to establish strong van der Waals interactions with a hydrophobic cleft on the hCA II surface, delimited by residues Phe131, Val135, Pro202, and Leu204.
Indeed, the complementarity of this tail with the cleft suggests that different substituents could be used to discriminate between isoforms having clefts with different sizes.
American Psychological Association (APA)
De Simone, Giuseppina& Pizika, Ginta& Monti, Simona Maria& Di Fiore, Anna& Ivanova, Jekaterina& Vozny, Igor…[et al.]. 2014. Hydrophobic Substituents of the Phenylmethylsulfamide Moiety Can Be Used for the Development of New Selective Carbonic Anhydrase Inhibitors. BioMed Research International،Vol. 2014, no. 2014, pp.1-11.
https://search.emarefa.net/detail/BIM-1034491
Modern Language Association (MLA)
De Simone, Giuseppina…[et al.]. Hydrophobic Substituents of the Phenylmethylsulfamide Moiety Can Be Used for the Development of New Selective Carbonic Anhydrase Inhibitors. BioMed Research International No. 2014 (2014), pp.1-11.
https://search.emarefa.net/detail/BIM-1034491
American Medical Association (AMA)
De Simone, Giuseppina& Pizika, Ginta& Monti, Simona Maria& Di Fiore, Anna& Ivanova, Jekaterina& Vozny, Igor…[et al.]. Hydrophobic Substituents of the Phenylmethylsulfamide Moiety Can Be Used for the Development of New Selective Carbonic Anhydrase Inhibitors. BioMed Research International. 2014. Vol. 2014, no. 2014, pp.1-11.
https://search.emarefa.net/detail/BIM-1034491
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1034491