|
|||||
|
|
Salicylaldoxime derivatives as new leads for the development of carbonic anhydrase inhibitors |
|
| Authors: | Tiziano Tuccinardi Simone Bertini Carlotta Granchi Gabriella Ortore Marco Macchia Filippo Minutolo Adriano Martinelli Claudiu T Supuran |
| Institution: | 1. Dipartimento di Scienze Farmaceutiche, Università degli Studi di Pisa, Via Bonanno 6, 56126 Pisa, Italy;2. Polo Scientifico, Laboratorio di Chimica Bioinorganica, Room 188, Università degli Studi di Firenze, Via della Lastruccia 3, 50019 Sesto Fiorentino, Florence, Italy;1. Università degli Studi di Firenze, Polo Scientifico, NEUROFARBA Department, Pharmaceutical Sciences Section, Via Ugo Schiff 6, 50019 Sesto Fiorentino, Florence, Italy |
| Abstract: | New compounds containing a novel zinc binding group (salicylaldoxime system) were identified as effective inhibitors of carbonic anhydrases (CAs). This structural motif seems to bind the catalytic zinc ion of CAs, revealing itself as a new valid alternative to the sulfonamide group. Computational procedures were used to investigate the binding mode of this class of compounds, within the active site of CAII. This study suggests that the salicylaldoxime moiety binds the zinc ion through the oxime oxygen atom that also forms an H-bond with T199. The results herein obtained will allow the development of new CA-inhibitors bearing the salicylaldoxime moiety. |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ | |