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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...
Autores principales: | , , , , , , , , , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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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. |
format | Online Article Text |
id | pubmed-10095301 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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