Dithiocarbamates effectively inhibit the α-carbonic anhydrase from Neisseria gonorrhoeae

Simone Giovannuzzia Neurofarba Department, Pharmaceutical and Nutraceutical Section, University of Florence, Sesto Fiorentino, ItalyView further author information

Nader S. Abutalebb Department of Biomedical Sciences and Pathobiology, Virginia-Maryland College of Veterinary Medicine, Virginia Polytechnic Institute and State University, Blacksburg, VA, USAView further author information

Chad S. Hewittc Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, West Lafayette, IN, USAView further author information

Fabrizio Cartaa Neurofarba Department, Pharmaceutical and Nutraceutical Section, University of Florence, Sesto Fiorentino, ItalyView further author information

Alessio Nocentinia Neurofarba Department, Pharmaceutical and Nutraceutical Section, University of Florence, Sesto Fiorentino, Italy

https://orcid.org/0000-0003-3342-702X View further author information

Mohamed N. Seleemb Department of Biomedical Sciences and Pathobiology, Virginia-Maryland College of Veterinary Medicine, Virginia Polytechnic Institute and State University, Blacksburg, VA, USA;d Center for Emerging Zoonotic and Arthropod-borne Pathogens, Virginia Polytechnic Institute and State University, Blacksburg, VA, USA

https://orcid.org/0000-0003-0939-0458 View further author information

Daniel P. Flahertyc Department of Medicinal Chemistry and Molecular Pharmacology, College of Pharmacy, Purdue University, West Lafayette, IN, USA;e Purdue Institute for Drug Discovery, West Lafayette, IN, USA;f Purdue Institute of Inflammation, Immunology and Infectious Disease, West Lafayette, IN, USACorrespondence[email protected]

https://orcid.org/0000-0002-8305-0606 View further author information

Claudiu T. Supurana Neurofarba Department, Pharmaceutical and Nutraceutical Section, University of Florence, Sesto Fiorentino, ItalyCorrespondence[email protected]

https://orcid.org/0000-0003-4262-0323 View further author information

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Figure 1. (A) Surface representation of hCA II active site in adduct with superimposed trithiocarbonate (cyan, PDB 3K7K) and the DTC morpholinocarbodithioate 23 (magenta, PDB 3P5A). The hydrophobic half of the CA active site is shown in red, and the hydrophilic one in blue; the proton shuttle residue His64 is shown in green. Cartoon view of hCA II active site in complex with B) trithiocarbonate and C) DTC 23.

Table 1. Inhibition constants (K_Is) of DTC inhibitors 1–31 against hCA I, II, and NgCA by a stopped flow CO₂ hydration assay, using acetazolamide (AAZ) as the standard drugCitation¹².

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Table 2. Minimum inhibitory concentrations of DTCs versus N. gonorrhoeae clinical isolates.

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Dithiocarbamates effectively inhibit the α-carbonic anhydrase from Neisseria gonorrhoeae

Table 1. Inhibition constants (K_Is) of DTC inhibitors 1–31 against hCA I, II, and NgCA by a stopped flow CO₂ hydration assay, using acetazolamide (AAZ) as the standard drugCitation¹².

Table 2. Minimum inhibitory concentrations of DTCs versus N. gonorrhoeae clinical isolates.

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Dithiocarbamates effectively inhibit the α-carbonic anhydrase from Neisseria gonorrhoeae

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Table 1. Inhibition constants (KIs) of DTC inhibitors 1–31 against hCA I, II, and NgCA by a stopped flow CO2 hydration assay, using acetazolamide (AAZ) as the standard drugCitation12.

Table 2. Minimum inhibitory concentrations of DTCs versus N. gonorrhoeae clinical isolates.

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Table 1. Inhibition constants (K_Is) of DTC inhibitors 1–31 against hCA I, II, and NgCA by a stopped flow CO₂ hydration assay, using acetazolamide (AAZ) as the standard drugCitation¹².