The zinc coordination pattern in the η-carbonic anhydrase from Plasmodium falciparum is different from all other carbonic anhydrase genetic families

Bioorganic & Medicinal Chemistry Letters
Giuseppina De SimoneClaudiu T Supuran

Abstract

In this Letter we reinvestigate the sequence analysis and report a homology model of the carbonic anhydrase (CA, EC 4.2.1.1) from the protozoan parasite Plasmodium falciparum, recently reported by us to belong to a new genetic family, the η-CA class. Our findings show that the metal ion coordination pattern of this CA is unique among all five other genetic families encoding for such enzymes, comprising two His and one Gln residues, in addition to the water molecule/hydroxide ion acting as nucleophile in the catalytic cycle. Although the η- and α-CAs present the same 3D fold, strongly suggesting the first ones to be evolutionary derived from the last, there are significant differences between the two families to allow optimism for the drug design of selective inhibitors for the parasite over the host enzymes. The preliminary studies reported here are relevant for drug design campaigns of anti-plasmodium CA inhibitors but further work by X-ray crystallography should validate the proposed model.

References

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Citations

Jul 18, 2015·International Journal of Molecular Sciences·Anna Di FioreKatia D'Ambrosio
Jan 23, 2016·International Journal of Molecular Sciences·Maria Giulia LionettoTrifone Schettino
Oct 27, 2015·Journal of Medicinal Chemistry·Giuseppe La ReginaRomano Silvestri
Jun 30, 2016·Journal of Enzyme Inhibition and Medicinal Chemistry·Claudiu T Supuran, Clemente Capasso
Sep 13, 2016·Journal of Enzyme Inhibition and Medicinal Chemistry·Sonia Del PreteClemente Capasso
Oct 22, 2016·Journal of Enzyme Inhibition and Medicinal Chemistry·Daria M MontiSimona M Monti
Oct 27, 2016·Expert Opinion on Drug Discovery·Claudiu T Supuran
Feb 24, 2017·International Journal of Environmental Research and Public Health·Daniel P DixonPaul J Linser
Jul 18, 2017·Pathogens·Claudiu T Supuran, Clemente Capasso
Jul 26, 2017·Journal of Enzyme Inhibition and Medicinal Chemistry·Rosa PerfettoClemente Capasso
Jul 26, 2017·Journal of Enzyme Inhibition and Medicinal Chemistry·Giuseppina De SimoneVincenzo Alterio
Jun 23, 2015·Chemical Communications : Chem Comm·Anna Di FioreGiuseppina De Simone
Aug 10, 2017·Journal of Enzyme Inhibition and Medicinal Chemistry·Sonia Del PreteClemente Capasso
Jul 14, 2016·The Biochemical Journal·Claudiu T Supuran
Dec 5, 2019·Environmental Science and Pollution Research International·Anand Giri, Deepak Pant
Mar 17, 2020·Expert Opinion on Drug Metabolism & Toxicology·Claudiu T Supuran
Jun 10, 2020·Journal of Enzyme Inhibition and Medicinal Chemistry·Linda J UrbańskiSeppo Parkkila
Aug 19, 2020·Expert Opinion on Therapeutic Patents·Claudiu T Supuran, Clemente Capasso
May 13, 2018·International Journal of Molecular Sciences·Charlotte PoschenriederJuan Barceló
Oct 12, 2018·International Journal of Medicinal Chemistry·Carrie L LomelinoRobert McKenna
Aug 4, 2015·Expert Opinion on Therapeutic Targets·Clemente Capasso, Claudiu T Supuran
May 26, 2018·International Journal of Molecular Sciences·Martina BuonannoGiuseppina De Simone
Jan 27, 2019·Expert Opinion on Drug Discovery·Emanuela Berrino, Claudiu T Supuran
Aug 30, 2018·Oxidative Medicine and Cellular Longevity·Anna Di FioreSimona M Monti
Apr 1, 2020·Journal of Enzyme Inhibition and Medicinal Chemistry·Giovanna SalbitaniClemente Capasso
May 22, 2020·ACS Medicinal Chemistry Letters·Giuseppe La ReginaRomano Silvestri
Jan 25, 2018·Plant Science : an International Journal of Experimental Plant Biology·Robert J DiMarioJames V Moroney
Sep 7, 2021·Journal of Enzyme Inhibition and Medicinal Chemistry·Alessio NocentiniClemente Capasso

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