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To Target or Not to Target Schistosoma mansoni Cyclic Nucleotide Phosphodiesterase 4A?

Schistosomiasis is a neglected tropical disease with high morbidity. Recently, the Schistosoma mansoni phosphodiesterase SmPDE4A was suggested as a putative new drug target. To support SmPDE4A targeted drug discovery, we cloned, isolated, and biochemically characterized the full-length and catalytic...

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Autores principales: Zheng, Yang, Schroeder, Susanne, Kanev, Georgi K., Botros, Sanaa S., William, Samia, Sabra, Abdel-Nasser A., Maes, Louis, Caljon, Guy, Gil, Carmen, Martinez, Ana, Salado, Irene G., Augustyns, Koen, Edink, Ewald, Sijm, Maarten, de Heuvel, Erik, de Esch, Iwan J. P., van der Meer, Tiffany, Siderius, Marco, Sterk, Geert Jan, Brown, David, Leurs, Rob
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10095301/
https://www.ncbi.nlm.nih.gov/pubmed/37047792
http://dx.doi.org/10.3390/ijms24076817
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author Zheng, Yang
Schroeder, Susanne
Kanev, Georgi K.
Botros, Sanaa S.
William, Samia
Sabra, Abdel-Nasser A.
Maes, Louis
Caljon, Guy
Gil, Carmen
Martinez, Ana
Salado, Irene G.
Augustyns, Koen
Edink, Ewald
Sijm, Maarten
de Heuvel, Erik
de Esch, Iwan J. P.
van der Meer, Tiffany
Siderius, Marco
Sterk, Geert Jan
Brown, David
Leurs, Rob
author_facet Zheng, Yang
Schroeder, Susanne
Kanev, Georgi K.
Botros, Sanaa S.
William, Samia
Sabra, Abdel-Nasser A.
Maes, Louis
Caljon, Guy
Gil, Carmen
Martinez, Ana
Salado, Irene G.
Augustyns, Koen
Edink, Ewald
Sijm, Maarten
de Heuvel, Erik
de Esch, Iwan J. P.
van der Meer, Tiffany
Siderius, Marco
Sterk, Geert Jan
Brown, David
Leurs, Rob
author_sort Zheng, Yang
collection PubMed
description Schistosomiasis is a neglected tropical disease with high morbidity. Recently, the Schistosoma mansoni phosphodiesterase SmPDE4A was suggested as a putative new drug target. To support SmPDE4A targeted drug discovery, we cloned, isolated, and biochemically characterized the full-length and catalytic domains of SmPDE4A. The enzymatically active catalytic domain was crystallized in the apo-form (PDB code: 6FG5) and in the cAMP- and AMP-bound states (PDB code: 6EZU). The SmPDE4A catalytic domain resembles human PDE4 more than parasite PDEs because it lacks the parasite PDE-specific P-pocket. Purified SmPDE4A proteins (full-length and catalytic domain) were used to profile an in-house library of PDE inhibitors (PDE4NPD toolbox). This screening identified tetrahydrophthalazinones and benzamides as potential hits. The PDE inhibitor NPD-0001 was the most active tetrahydrophthalazinone, whereas the approved human PDE4 inhibitors roflumilast and piclamilast were the most potent benzamides. As a follow-up, 83 benzamide analogs were prepared, but the inhibitory potency of the initial hits was not improved. Finally, NPD-0001 and roflumilast were evaluated in an in vitro anti-S. mansoni assay. Unfortunately, both SmPDE4A inhibitors were not effective in worm killing and only weakly affected the egg-laying at high micromolar concentrations. Consequently, the results with these SmPDE4A inhibitors strongly suggest that SmPDE4A is not a suitable target for anti-schistosomiasis therapy.
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spelling pubmed-100953012023-04-13 To Target or Not to Target Schistosoma mansoni Cyclic Nucleotide Phosphodiesterase 4A? Zheng, Yang Schroeder, Susanne Kanev, Georgi K. Botros, Sanaa S. William, Samia Sabra, Abdel-Nasser A. Maes, Louis Caljon, Guy Gil, Carmen Martinez, Ana Salado, Irene G. Augustyns, Koen Edink, Ewald Sijm, Maarten de Heuvel, Erik de Esch, Iwan J. P. van der Meer, Tiffany Siderius, Marco Sterk, Geert Jan Brown, David Leurs, Rob Int J Mol Sci Article Schistosomiasis is a neglected tropical disease with high morbidity. Recently, the Schistosoma mansoni phosphodiesterase SmPDE4A was suggested as a putative new drug target. To support SmPDE4A targeted drug discovery, we cloned, isolated, and biochemically characterized the full-length and catalytic domains of SmPDE4A. The enzymatically active catalytic domain was crystallized in the apo-form (PDB code: 6FG5) and in the cAMP- and AMP-bound states (PDB code: 6EZU). The SmPDE4A catalytic domain resembles human PDE4 more than parasite PDEs because it lacks the parasite PDE-specific P-pocket. Purified SmPDE4A proteins (full-length and catalytic domain) were used to profile an in-house library of PDE inhibitors (PDE4NPD toolbox). This screening identified tetrahydrophthalazinones and benzamides as potential hits. The PDE inhibitor NPD-0001 was the most active tetrahydrophthalazinone, whereas the approved human PDE4 inhibitors roflumilast and piclamilast were the most potent benzamides. As a follow-up, 83 benzamide analogs were prepared, but the inhibitory potency of the initial hits was not improved. Finally, NPD-0001 and roflumilast were evaluated in an in vitro anti-S. mansoni assay. Unfortunately, both SmPDE4A inhibitors were not effective in worm killing and only weakly affected the egg-laying at high micromolar concentrations. Consequently, the results with these SmPDE4A inhibitors strongly suggest that SmPDE4A is not a suitable target for anti-schistosomiasis therapy. MDPI 2023-04-06 /pmc/articles/PMC10095301/ /pubmed/37047792 http://dx.doi.org/10.3390/ijms24076817 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Zheng, Yang
Schroeder, Susanne
Kanev, Georgi K.
Botros, Sanaa S.
William, Samia
Sabra, Abdel-Nasser A.
Maes, Louis
Caljon, Guy
Gil, Carmen
Martinez, Ana
Salado, Irene G.
Augustyns, Koen
Edink, Ewald
Sijm, Maarten
de Heuvel, Erik
de Esch, Iwan J. P.
van der Meer, Tiffany
Siderius, Marco
Sterk, Geert Jan
Brown, David
Leurs, Rob
To Target or Not to Target Schistosoma mansoni Cyclic Nucleotide Phosphodiesterase 4A?
title To Target or Not to Target Schistosoma mansoni Cyclic Nucleotide Phosphodiesterase 4A?
title_full To Target or Not to Target Schistosoma mansoni Cyclic Nucleotide Phosphodiesterase 4A?
title_fullStr To Target or Not to Target Schistosoma mansoni Cyclic Nucleotide Phosphodiesterase 4A?
title_full_unstemmed To Target or Not to Target Schistosoma mansoni Cyclic Nucleotide Phosphodiesterase 4A?
title_short To Target or Not to Target Schistosoma mansoni Cyclic Nucleotide Phosphodiesterase 4A?
title_sort to target or not to target schistosoma mansoni cyclic nucleotide phosphodiesterase 4a?
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10095301/
https://www.ncbi.nlm.nih.gov/pubmed/37047792
http://dx.doi.org/10.3390/ijms24076817
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