Virtual Fragment Screening Identification of a Quinoline‐5,8‐dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor

The quinoline‐5,8 dicarboxylic acid scaffold has been identified by a fragment‐based approach as new potential lead compound for the development of JMJD3 inhibitors. Among them, 3‐(2,4‐dimethoxypyrimidin‐5‐yl)quinoline‐5,8‐dicarboxylic acid (compound 3) shows low micromolar inhibitory activity again...

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Detalles Bibliográficos
Autores principales: Giordano, Assunta, del Gaudio, Federica, Johansson, Catrine, Riccio, Raffaele, Oppermann, Udo, Di Micco, Simone
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2018
Materias:
Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6055880/
https://www.ncbi.nlm.nih.gov/pubmed/29633584
http://dx.doi.org/10.1002/cmdc.201800198
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author Giordano, Assunta
del Gaudio, Federica
Johansson, Catrine
Riccio, Raffaele
Oppermann, Udo
Di Micco, Simone
author_facet Giordano, Assunta
del Gaudio, Federica
Johansson, Catrine
Riccio, Raffaele
Oppermann, Udo
Di Micco, Simone
author_sort Giordano, Assunta
collection PubMed
description The quinoline‐5,8 dicarboxylic acid scaffold has been identified by a fragment‐based approach as new potential lead compound for the development of JMJD3 inhibitors. Among them, 3‐(2,4‐dimethoxypyrimidin‐5‐yl)quinoline‐5,8‐dicarboxylic acid (compound 3) shows low micromolar inhibitory activity against Jumonji domain‐containing protein 3 (JMJD3). The experimental evaluation of inhibitory activity against seven related isoforms of JMJD3 highlighted an unprecedented selectivity toward the biological target of interest.
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spelling pubmed-60558802018-07-30 Virtual Fragment Screening Identification of a Quinoline‐5,8‐dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor Giordano, Assunta del Gaudio, Federica Johansson, Catrine Riccio, Raffaele Oppermann, Udo Di Micco, Simone ChemMedChem Communications The quinoline‐5,8 dicarboxylic acid scaffold has been identified by a fragment‐based approach as new potential lead compound for the development of JMJD3 inhibitors. Among them, 3‐(2,4‐dimethoxypyrimidin‐5‐yl)quinoline‐5,8‐dicarboxylic acid (compound 3) shows low micromolar inhibitory activity against Jumonji domain‐containing protein 3 (JMJD3). The experimental evaluation of inhibitory activity against seven related isoforms of JMJD3 highlighted an unprecedented selectivity toward the biological target of interest. John Wiley and Sons Inc. 2018-05-22 2018-06-20 /pmc/articles/PMC6055880/ /pubmed/29633584 http://dx.doi.org/10.1002/cmdc.201800198 Text en © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the http://creativecommons.org/licenses/by/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.
spellingShingle Communications
Giordano, Assunta
del Gaudio, Federica
Johansson, Catrine
Riccio, Raffaele
Oppermann, Udo
Di Micco, Simone
Virtual Fragment Screening Identification of a Quinoline‐5,8‐dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor
title Virtual Fragment Screening Identification of a Quinoline‐5,8‐dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor
title_full Virtual Fragment Screening Identification of a Quinoline‐5,8‐dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor
title_fullStr Virtual Fragment Screening Identification of a Quinoline‐5,8‐dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor
title_full_unstemmed Virtual Fragment Screening Identification of a Quinoline‐5,8‐dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor
title_short Virtual Fragment Screening Identification of a Quinoline‐5,8‐dicarboxylic Acid Derivative as a Selective JMJD3 Inhibitor
title_sort virtual fragment screening identification of a quinoline‐5,8‐dicarboxylic acid derivative as a selective jmjd3 inhibitor
topic Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6055880/
https://www.ncbi.nlm.nih.gov/pubmed/29633584
http://dx.doi.org/10.1002/cmdc.201800198
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