A Simple Isomerization of the Purine Scaffold of a Kinase Inhibitor, Roscovitine, Affords a Four- to Seven-Fold Enhancement of Its Affinity for Four CDKs. Could This Be Traced Back to Conjugation-Induced Stiffenings/Loosenings of Rotational Barriers?

Author:

El Hage Krystel12,Piquemal Jean-Philip34ORCID,Oumata Nassima5,Meijer Laurent5,Galons Hervé56,Gresh Nohad13ORCID

Affiliation:

1. Chemistry and Biology Nucleo(s)tides and Immunology for Therapy (CBNIT), UMR 8601 CNRS, UFR Biomédicale, Paris 75006, France

2. Centre d’Analyses et de Recherche, UR EGFEM, LSIM, Faculté des Sciences, Saint Joseph University of Beirut, B.P. 11-514 Riad El Solh, Beirut 1107 2050, Lebanon

3. Laboratoire de Chimie Théorique, Sorbonne Universités, UPMC, UMR7616 CNRS, Paris 75005, France

4. Department of Biomedical Engineering, The University of Texas at Austin, Austin, Texas 78712, United States

5. ManRos Therapeutics, Hôtel de Recherche, Centre de Perharidy, Roscoff 29680, France

6. Unité de Technologies Chimiques et Biologiques pour la Santé, Université Paris Descartes UMR-S 1022 Inserm, 4 avenue de l’Observatoire, Paris 75006, France

Funder

Association Vaincre la Mucoviscidose

Association Philippe Jabre

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

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