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|Title:||Mycobacterial carbonic anhydrase inhibition with phenolic acids and esters: kinetic and computational investigations||Authors:||CAU, YLENIA
Supuran, Claudiu T
|Issue Date:||2016||Project:||None||Journal:||ORGANIC & BIOMOLECULAR CHEMISTRY||Abstract:||
A series of phenolic acids and some of their esters, derivatives of caffeic, ferulic, and p-coumaric acid, was investigated for the inhibition of three β-carbonic anhydrases (CAs, EC 22.214.171.124) from the pathogenic bacterium Mycobacterium tuberculosis, Rv1248, Rv3588 and Rv3273 β-CAs. Some of these compounds were low micromolar inhibitors of the pathogenic enzymes and they did not show inhibitory activity against the human widespread cytosolic isoforms CA I and II. The binding mode of these inhibitors to two of the bacterial enzymes was investigated by computational approaches. We propose that the inhibitors anchor to the zinc-coordinated water molecule from the CA active site interfering with the nucleophilic attack of the zinc hydroxide on the substrate CO2. These compounds may be considered as interesting anti-mycobacterial lead compounds.
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