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

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 ¹ Jean-Philip Piquemal ² Nassima Oumata ³ Laurent Meijer ³ Hervé Galons ⁴ Nohad Gresh ⁵

1 Department of Chemistry, University of Basel

2 LCT - Laboratoire de chimie théorique

3 ManRos Therapeutics

4 UTCBS - UM 4 (UMR 8258 / U1022) - Unité de Technologies Chimiques et Biologiques pour la Santé

5 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire

Document type :

Journal articles

Domain :

Chemical Sciences

Chemical Sciences / Theoretical and/or physical chemistry

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https://hal.archives-ouvertes.fr/hal-02126840
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 11:42:14 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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?

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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?

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