Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids.

Article Details

Citation

Innocenti A, Beyza Ozturk Sarikaya S, Gulcin I, Supuran CT

Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids.

Bioorg Med Chem. 2010 Mar 15;18(6):2159-64. doi: 10.1016/j.bmc.2010.01.076. Epub 2010 Feb 6.

PubMed ID
20185318 [ View in PubMed
]
Abstract

A series of phenolic acids and phenol natural products, such as p-hydroxybenzoic acid, p-coumaric acid, caffeic acid, ferulic acid, gallic acid, syringic acid, quercetin, and ellagic acid, were investigated for their inhibitory effects against the metalloenzyme carbonic anhydrase (CA, EC 4.2.1.1). All mammalian isozymes of human (h) or murine (m) origin hCA I-hCA XII, mCA XIII and hCA XIV were inhibited in the low micromolar or submicromolar range by these (poly)phenols (K(I)s in the range of 0.87-7.79 microM). p-Hydroxybenzoic acid was the best inhibitor of all isozymes (K(I)s of 0.87-35.4 microM) and the different isozymes showed very variable inhibition profiles with these derivatives. Phenols like the ones investigated here possess a CA inhibition mechanism distinct of that of the sulfonamides/sulfamates used clinically or the coumarins. Unlike the sulfonamides, which bind to the catalytic zinc ion, phenols are anchored at the Zn(II)-coordinated water molecule and bind more externally within the active site cavity, making contacts with various amino acid residues. As this is the region with the highest variability between the many CA isozymes found in mammals, this class of compounds may lead to isoform-selective inhibitors targeting just one or few of the medicinally relevant CAs.

DrugBank Data that Cites this Article

Drug Targets
DrugTargetKindOrganismPharmacological ActionActions
Ellagic acidCarbonic anhydrase 1ProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 12ProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 14ProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 2ProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 3ProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 4ProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 5A, mitochondrialProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 5B, mitochondrialProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 6ProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 7ProteinHumans
Unknown
Inhibitor
Details
Ellagic acidCarbonic anhydrase 9ProteinHumans
Unknown
Inhibitor
Details
Binding Properties
DrugTargetPropertyMeasurementpHTemperature (°C)
AcetazolamideCarbonic anhydrase 1Ki (nM)250N/AN/ADetails
AcetazolamideCarbonic anhydrase 12Ki (nM)5.7N/AN/ADetails
AcetazolamideCarbonic anhydrase 14Ki (nM)41N/AN/ADetails
AcetazolamideCarbonic anhydrase 2Ki (nM)12N/AN/ADetails
AcetazolamideCarbonic anhydrase 3Ki (nM)200000N/AN/ADetails
AcetazolamideCarbonic anhydrase 4Ki (nM)74N/AN/ADetails
AcetazolamideCarbonic anhydrase 7Ki (nM)2.5N/AN/ADetails
Ellagic acidCarbonic anhydrase 1Ki (nM)2320N/AN/ADetails
Ellagic acidCarbonic anhydrase 12Ki (nM)10100N/AN/ADetails
Ellagic acidCarbonic anhydrase 14Ki (nM)8910N/AN/ADetails
Ellagic acidCarbonic anhydrase 2Ki (nM)2180N/AN/ADetails
Ellagic acidCarbonic anhydrase 3Ki (nM)10500N/AN/ADetails
Ellagic acidCarbonic anhydrase 4Ki (nM)9080N/AN/ADetails
Ellagic acidCarbonic anhydrase 5A, mitochondrialKi (nM)7590N/AN/ADetails
Ellagic acidCarbonic anhydrase 5B, mitochondrialKi (nM)12700N/AN/ADetails
Ellagic acidCarbonic anhydrase 6Ki (nM)7060N/AN/ADetails
Ellagic acidCarbonic anhydrase 7Ki (nM)6320N/AN/ADetails
Ellagic acidCarbonic anhydrase 9Ki (nM)9370N/AN/ADetails