Catechols: a new class of carbonic anhydrase inhibitors

Chem Commun (Camb). 2020 Nov 4;56(85):13033-13036. doi: 10.1039/d0cc05172a. Epub 2020 Oct 1.

Abstract

To date, catechols have been only poorly investigated as carbonic anhydrase (CA) inhibitors. Here we report the first structural information on the CA inhibition mechanism of these molecules, showing that they adopt a peculiar binding mode to the enzyme active site which involves the zinc-bound water molecule and the "deep water".

MeSH terms

  • Carbonic Anhydrase Inhibitors / chemistry
  • Carbonic Anhydrase Inhibitors / pharmacology*
  • Carbonic Anhydrases / metabolism*
  • Catechols / chemistry
  • Catechols / pharmacology*
  • Humans
  • Molecular Structure
  • Structure-Activity Relationship

Substances

  • Carbonic Anhydrase Inhibitors
  • Catechols
  • Carbonic Anhydrases