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Cover Picture: Discovery of New Potential Anti‐Infective Compounds Based on Carbonic Anhydrase Inhibitors by Rational Target‐Focused Repurposing Approaches (ChemMedChem 17/2016)
Author(s) -
Annunziato Giannamaria,
Angeli Andrea,
D'Alba Francesca,
Bruno Agostino,
Pieroni Marco,
Vullo Daniela,
De Luca Viviana,
Capasso Clemente,
Supuran Claudiu T.,
Costantino Gabriele
Publication year - 2016
Publication title -
chemmedchem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.201600429
Subject(s) - carbonic anhydrase , repurposing , chemistry , front cover , drug repositioning , active site , drug discovery , combinatorial chemistry , pyridine , rational design , enzyme , biochemistry , drug , computational biology , stereochemistry , cover (algebra) , nanotechnology , organic chemistry , pharmacology , biology , materials science , mechanical engineering , ecology , engineering
The front cover pictures shows the binding of 2‐amino‐6‐ethyl‐3‐(methoxycarbonyl)pyridine‐1‐oxide ( 18 ) onto the Sulfurihydrogenibium yellowstonensis carbonic anhydrase ( Ssp CA) active site (the Ssp CA enzyme is embedded in a transparent water‐shell, mimicking the solution medium). Compound 18 shows an unprecedented selectivity profile, being able to selectively inhibit microbial CA over the human ones and it was identified by applying a rational target‐based drug repurposing approach. Compound 18 represents an excellent hit to be further optimized in hits‐to‐lead campaigns for a new class of CA inhibitors. Overall, our work paves the way for the design of potentially more selective CAIs, which preferentially inhibit microbial CAs characterized by the α‐ and η‐families fold type. More information can be found in the Full Paper by Agostino Bruno, Claudiu T. Supuran et al. on page 1904 in Issue 17, 2016 (DOI: 10.1002/cmdc.201600180).