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?

• Krystel El Hage,
• Jean-Philip Piquemal,
• Nassima Oumata,
• Laurent Meijer,
• Hervé Galons,
• Nohad Gresh

Affiliations

Krystel El Hage

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

Jean-Philip Piquemal

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

Nassima Oumata

ManRos Therapeutics, Hôtel de Recherche, Centre de Perharidy, Roscoff, France

Laurent Meijer

ManRos Therapeutics, Hôtel de Recherche, Centre de Perharidy, Roscoff, France

Hervé Galons

ManRos Therapeutics, Hôtel de Recherche, Centre de Perharidy, Roscoff, France

Nohad Gresh

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