Inhibition studies of the beta-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium with sulfonamides and sulfamates.

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Citation

Nishimori I, Minakuchi T, Vullo D, Scozzafava A, Supuran CT

Inhibition studies of the beta-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium with sulfonamides and sulfamates.

Bioorg Med Chem. 2011 Aug 15;19(16):5023-30. doi: 10.1016/j.bmc.2011.06.038. Epub 2011 Jun 24.

PubMed ID
21757360 [ View in PubMed
]
Abstract

The two beta-carbonic anhydrases (CAs, EC 4.2.1.1) from the bacterial pathogen Salmonella enterica serovar Typhimurium, stCA 1 and stCA 2, were investigated for their inhibition with a large panel of sulfonamides and sulfamates. Unlike inorganic anions, which are weak, millimolar inhibitors of the two enzymes [Vullo et al., Bioorg. Med. Chem. Lett.2011, 21, 3591], sulfonamides and sulfamates are effective micro-to nanomolar inhibitors of the two enzymes. Various types of inhibitors have been detected among the 38 investigated sulfonamides/sulfamates, with K(I)s in the range of 31 nM-5.87 muM. The best stCA 1 inhibitors were acetazolamide and benzolamide-based compounds, whereas the best stCA 2 inhibitors were sulfonylated benzenesulfonamides and amino-benzolamide derivatives (K(I)s in the range of 31-90 nM). 3-Fluoro-5-chloro-4-aminobenzolamide showed an inhibition constant of 51 nM against stCA 1 and of 38 nM against stCA 2, being the best inhibitor detected so far for these enzymes. As many strains of S. enterica show extensive resistance to classical antibiotics, inhibition of the beta-CAs investigated here may be useful for developing novel antibacterials, targeting beta-CAs which may be involved in pathogenicity and invasion of some bacteria.

DrugBank Data that Cites this Article

Binding Properties
DrugTargetPropertyMeasurementpHTemperature (°C)
4-(2-AMINOETHYL)BENZENESULFONAMIDECarbonic anhydrase 2Ki (nM)160000N/AN/ADetails
5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamideCarbonic anhydrase 2Ki (nM)12000N/AN/ADetails
5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamideCarbonic anhydrase 2Ki (nM)9000N/AN/ADetails
5-{[(4-AMINO-3-CHLORO-5-FLUOROPHENYL)SULFONYL]AMINO}-1,3,4-THIADIAZOLE-2-SULFONAMIDECarbonic anhydrase 2Ki (nM)300N/AN/ADetails
6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDECarbonic anhydrase 2Ki (nM)30000N/AN/ADetails
AcetazolamideCarbonic anhydrase 1Ki (nM)250N/AN/ADetails
AcetazolamideCarbonic anhydrase 2Ki (nM)12N/AN/ADetails
BrinzolamideCarbonic anhydrase 1Ki (nM)45000000N/AN/ADetails
BrinzolamideCarbonic anhydrase 2Ki (nM)3000N/AN/ADetails
CelecoxibCarbonic anhydrase 2Ki (nM)21000N/AN/ADetails
DiclofenamideCarbonic anhydrase 1Ki (nM)1200000N/AN/ADetails
DiclofenamideCarbonic anhydrase 2Ki (nM)38000N/AN/ADetails
DorzolamideCarbonic anhydrase 1Ki (nM)50000000N/AN/ADetails
DorzolamideCarbonic anhydrase 2Ki (nM)9000N/AN/ADetails
EthoxzolamideCarbonic anhydrase 1Ki (nM)25000N/AN/ADetails
EthoxzolamideCarbonic anhydrase 2Ki (nM)8000N/AN/ADetails
SulpirideCarbonic anhydrase 2Ki (nM)40000N/AN/ADetails
SulthiameCarbonic anhydrase 2Ki (nM)9000N/AN/ADetails
TopiramateCarbonic anhydrase 1Ki (nM)250000N/AN/ADetails
TopiramateCarbonic anhydrase 2Ki (nM)10000N/AN/ADetails
ValdecoxibCarbonic anhydrase 2Ki (nM)43000N/AN/ADetails
ZonisamideCarbonic anhydrase 1Ki (nM)56000N/AN/ADetails
ZonisamideCarbonic anhydrase 2Ki (nM)35000N/AN/ADetails