Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies

[Image: see text] YopH tyrosine phosphatase, a virulence factor produced by pathogenic species of Yersinia, is an attractive drug target. In this work, three oxidovanadium(IV) complexes were assayed against recombinant YopH and showed strong inhibition of the enzyme in the nanomolar range. Molecular...

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Autores principales: Martins, Priscila G. A., Mori, Mattia, Chiaradia-Delatorre, Louise D., Menegatti, Angela C. O., Mascarello, Alessandra, Botta, Bruno, Benítez, Julio, Gambino, Dinorah, Terenzi, Hernán
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2015
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4641580/
https://www.ncbi.nlm.nih.gov/pubmed/26617957
http://dx.doi.org/10.1021/acsmedchemlett.5b00267
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author Martins, Priscila G. A.
Mori, Mattia
Chiaradia-Delatorre, Louise D.
Menegatti, Angela C. O.
Mascarello, Alessandra
Botta, Bruno
Benítez, Julio
Gambino, Dinorah
Terenzi, Hernán
author_facet Martins, Priscila G. A.
Mori, Mattia
Chiaradia-Delatorre, Louise D.
Menegatti, Angela C. O.
Mascarello, Alessandra
Botta, Bruno
Benítez, Julio
Gambino, Dinorah
Terenzi, Hernán
author_sort Martins, Priscila G. A.
collection PubMed
description [Image: see text] YopH tyrosine phosphatase, a virulence factor produced by pathogenic species of Yersinia, is an attractive drug target. In this work, three oxidovanadium(IV) complexes were assayed against recombinant YopH and showed strong inhibition of the enzyme in the nanomolar range. Molecular modeling indicated that their binding is reinforced by H-bond, cation−π, and π–π interactions conferring specificity toward YopH. These complexes are thus interesting lead molecules for phosphatase inhibitor drug discovery.
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spelling pubmed-46415802016-10-08 Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies Martins, Priscila G. A. Mori, Mattia Chiaradia-Delatorre, Louise D. Menegatti, Angela C. O. Mascarello, Alessandra Botta, Bruno Benítez, Julio Gambino, Dinorah Terenzi, Hernán ACS Med Chem Lett [Image: see text] YopH tyrosine phosphatase, a virulence factor produced by pathogenic species of Yersinia, is an attractive drug target. In this work, three oxidovanadium(IV) complexes were assayed against recombinant YopH and showed strong inhibition of the enzyme in the nanomolar range. Molecular modeling indicated that their binding is reinforced by H-bond, cation−π, and π–π interactions conferring specificity toward YopH. These complexes are thus interesting lead molecules for phosphatase inhibitor drug discovery. American Chemical Society 2015-08-31 /pmc/articles/PMC4641580/ /pubmed/26617957 http://dx.doi.org/10.1021/acsmedchemlett.5b00267 Text en Copyright © 2015 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Martins, Priscila G. A.
Mori, Mattia
Chiaradia-Delatorre, Louise D.
Menegatti, Angela C. O.
Mascarello, Alessandra
Botta, Bruno
Benítez, Julio
Gambino, Dinorah
Terenzi, Hernán
Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies
title Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies
title_full Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies
title_fullStr Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies
title_full_unstemmed Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies
title_short Exploring Oxidovanadium(IV) Complexes as YopH Inhibitors: Mechanism of Action and Modeling Studies
title_sort exploring oxidovanadium(iv) complexes as yoph inhibitors: mechanism of action and modeling studies
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4641580/
https://www.ncbi.nlm.nih.gov/pubmed/26617957
http://dx.doi.org/10.1021/acsmedchemlett.5b00267
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