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Identification of novel CLK1 inhibitors by computational fragment-based ligand design, co-crystallization, chemical synthesis and structure activity relationships.

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Title: Identification of novel CLK1 inhibitors by computational fragment-based ligand design, co-crystallization, chemical synthesis and structure activity relationships.
Authors: Bourg S; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France., Place M; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France., Copin C; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France., Chaikuad A; Institut für Pharmazeutische Chemie and Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Goethe University Frankfurt, Max-von-Laue-Str. 15, Frankfurt am Main, 60438, Germany., Robert T; Sorbonne Université, CNRS, FR 2424, Plateforme de Criblage KISSf, Station Biologique de Roscoff, Roscoff, 29680, France; Sorbonne Université, CNRS, UMR 8227, Integrative Biology of Marine Models Laboratory (LBI2M), Station Biologique de Roscoff, Roscoff, 29680, France., Holzmann H; Institut für Pharmazeutische Chemie and Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Goethe University Frankfurt, Max-von-Laue-Str. 15, Frankfurt am Main, 60438, Germany., Müller S; Institut für Pharmazeutische Chemie and Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Goethe University Frankfurt, Max-von-Laue-Str. 15, Frankfurt am Main, 60438, Germany., Bach S; Sorbonne Université, CNRS, FR 2424, Plateforme de Criblage KISSf, Station Biologique de Roscoff, Roscoff, 29680, France; Sorbonne Université, CNRS, UMR 8227, Integrative Biology of Marine Models Laboratory (LBI2M), Station Biologique de Roscoff, Roscoff, 29680, France., Ruchaud S; Sorbonne Université, CNRS, UMR 8227, Integrative Biology of Marine Models Laboratory (LBI2M), Station Biologique de Roscoff, Roscoff, 29680, France., Knapp S; Institut für Pharmazeutische Chemie and Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Goethe University Frankfurt, Max-von-Laue-Str. 15, Frankfurt am Main, 60438, Germany., Buron F; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France. Electronic address: frederic.buron@univ-orleans.fr., Routier S; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France. Electronic address: sylvain.routier@univ-orleans.fr., Bonnet P; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France. Electronic address: pascal.bonnet@univ-orleans.fr.
Source: European journal of medicinal chemistry [Eur J Med Chem] 2026 Oct 05; Vol. 315, pp. 118977. Date of Electronic Publication: 2026 May 21.
Publication Type: Journal Article
Journal Info: Publisher: Editions Scientifiques Elsevier Country of Publication: France NLM ID: 0420510 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1768-3254 (Electronic) Linking ISSN: 02235234 NLM ISO Abbreviation: Eur J Med Chem Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Bourg+S%22">Bourg S</searchLink>; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France.<br /><searchLink fieldCode="AU" term="%22Place+M%22">Place M</searchLink>; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France.<br /><searchLink fieldCode="AU" term="%22Copin+C%22">Copin C</searchLink>; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France.<br /><searchLink fieldCode="AU" term="%22Chaikuad+A%22">Chaikuad A</searchLink>; Institut für Pharmazeutische Chemie and Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Goethe University Frankfurt, Max-von-Laue-Str. 15, Frankfurt am Main, 60438, Germany.<br /><searchLink fieldCode="AU" term="%22Robert+T%22">Robert T</searchLink>; Sorbonne Université, CNRS, FR 2424, Plateforme de Criblage KISSf, Station Biologique de Roscoff, Roscoff, 29680, France; Sorbonne Université, CNRS, UMR 8227, Integrative Biology of Marine Models Laboratory (LBI2M), Station Biologique de Roscoff, Roscoff, 29680, France.<br /><searchLink fieldCode="AU" term="%22Holzmann+H%22">Holzmann H</searchLink>; Institut für Pharmazeutische Chemie and Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Goethe University Frankfurt, Max-von-Laue-Str. 15, Frankfurt am Main, 60438, Germany.<br /><searchLink fieldCode="AU" term="%22Müller+S%22">Müller S</searchLink>; Institut für Pharmazeutische Chemie and Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Goethe University Frankfurt, Max-von-Laue-Str. 15, Frankfurt am Main, 60438, Germany.<br /><searchLink fieldCode="AU" term="%22Bach+S%22">Bach S</searchLink>; Sorbonne Université, CNRS, FR 2424, Plateforme de Criblage KISSf, Station Biologique de Roscoff, Roscoff, 29680, France; Sorbonne Université, CNRS, UMR 8227, Integrative Biology of Marine Models Laboratory (LBI2M), Station Biologique de Roscoff, Roscoff, 29680, France.<br /><searchLink fieldCode="AU" term="%22Ruchaud+S%22">Ruchaud S</searchLink>; Sorbonne Université, CNRS, UMR 8227, Integrative Biology of Marine Models Laboratory (LBI2M), Station Biologique de Roscoff, Roscoff, 29680, France.<br /><searchLink fieldCode="AU" term="%22Knapp+S%22">Knapp S</searchLink>; Institut für Pharmazeutische Chemie and Structural Genomics Consortium (SGC), Buchmann Institute for Life Sciences, Goethe University Frankfurt, Max-von-Laue-Str. 15, Frankfurt am Main, 60438, Germany.<br /><searchLink fieldCode="AU" term="%22Buron+F%22">Buron F</searchLink>; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France. Electronic address: frederic.buron@univ-orleans.fr.<br /><searchLink fieldCode="AU" term="%22Routier+S%22">Routier S</searchLink>; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France. Electronic address: sylvain.routier@univ-orleans.fr.<br /><searchLink fieldCode="AU" term="%22Bonnet+P%22">Bonnet P</searchLink>; Université d'Orléans, CNRS, ICOA, UMR 7311, Orléans, France. Electronic address: pascal.bonnet@univ-orleans.fr.
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