Ibuprofen: a weak inhibitor of carbonic anhydrase II.
X-ray crystallography
carbonic anhydrases
carboxylic acid-based inhibitors
ibuprofen
kinetics
Journal
Acta crystallographica. Section F, Structural biology communications
ISSN: 2053-230X
Titre abrégé: Acta Crystallogr F Struct Biol Commun
Pays: United States
ID NLM: 101620319
Informations de publication
Date de publication:
01 Nov 2022
01 Nov 2022
Historique:
received:
05
08
2022
accepted:
05
10
2022
entrez:
2
11
2022
pubmed:
3
11
2022
medline:
5
11
2022
Statut:
ppublish
Résumé
Carbonic anhydrases (CAs) are drug targets for a variety of diseases. While many clinically relevant CA inhibitors are sulfonamide-based, novel CA inhibitors are being developed that incorporate alternative zinc-binding groups, such as carboxylic acid moieties, to develop CA isoform-specific inhibitors. Here, the X-ray crystal structure of human CA II (hCA II) in complex with the carboxylic acid ibuprofen [2-(4-isobutylphenyl)propanoic acid, a common over-the-counter nonsteroidal anti-inflammatory drug] is reported to 1.54 Å resolution. The binding of ibuprofen is overlaid with the structures of other carboxylic acids in complex with hCA II to compare their inhibition mechanisms by direct or indirect (via a water) binding to the active-site zinc. Additionally, enzyme-inhibition assays using ibuprofen, nicotinic acid and ferulic acid were performed with hCA II to determine their IC
Identifiants
pubmed: 36322425
pii: S2053230X22009761
doi: 10.1107/S2053230X22009761
pmc: PMC9629514
doi:
Substances chimiques
Carbonic Anhydrase II
EC 4.2.1.-
Carbonic Anhydrase Inhibitors
0
Ibuprofen
WK2XYI10QM
Carboxylic Acids
0
Zinc
J41CSQ7QDS
Carbonic Anhydrase IX
EC 4.2.1.1
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Pagination
395-402Références
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