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?

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?

Bibliographic Details
Main Authors: Krystel El Hage, Jean-Philip Piquemal, Nassima Oumata, Laurent Meijer, Hervé Galons, Nohad Gresh
Format: Article
Language:English
Published: American Chemical Society 2017-07-01
Series:ACS Omega
Online Access:http://dx.doi.org/10.1021/acsomega.7b00471
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spelling doaj-b7b5d109237c4b8c87708b796ba807832020-11-25T03:32:26ZengAmerican Chemical SocietyACS Omega2470-13432017-07-01273467347410.1021/acsomega.7b00471A 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 Hage0Jean-Philip Piquemal1Nassima Oumata2Laurent Meijer3Hervé Galons4Nohad Gresh5Chemistry and Biology Nucleo(s)tides and Immunology for Therapy (CBNIT), UMR 8601 CNRS, UFR Biomédicale, Paris, FranceLaboratoire de Chimie Théorique, Sorbonne Universités, UPMC, UMR7616 CNRS, Paris, FranceManRos Therapeutics, Hôtel de Recherche, Centre de Perharidy, Roscoff, FranceManRos Therapeutics, Hôtel de Recherche, Centre de Perharidy, Roscoff, FranceManRos Therapeutics, Hôtel de Recherche, Centre de Perharidy, Roscoff, FranceChemistry and Biology Nucleo(s)tides and Immunology for Therapy (CBNIT), UMR 8601 CNRS, UFR Biomédicale, Paris, Francehttp://dx.doi.org/10.1021/acsomega.7b00471
collection DOAJ
language English
format Article
sources DOAJ
author Krystel El Hage
Jean-Philip Piquemal
Nassima Oumata
Laurent Meijer
Hervé Galons
Nohad Gresh
spellingShingle 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?
ACS Omega
author_facet Krystel El Hage
Jean-Philip Piquemal
Nassima Oumata
Laurent Meijer
Hervé Galons
Nohad Gresh
author_sort Krystel El Hage
title 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?
title_short 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?
title_full 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?
title_fullStr 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?
title_full_unstemmed 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?
title_sort 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?
publisher American Chemical Society
series ACS Omega
issn 2470-1343
publishDate 2017-07-01
url http://dx.doi.org/10.1021/acsomega.7b00471
work_keys_str_mv AT krystelelhage asimpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT jeanphilippiquemal asimpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT nassimaoumata asimpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT laurentmeijer asimpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT hervegalons asimpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT nohadgresh asimpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT krystelelhage simpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT jeanphilippiquemal simpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT nassimaoumata simpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT laurentmeijer simpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT hervegalons simpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
AT nohadgresh simpleisomerizationofthepurinescaffoldofakinaseinhibitorroscovitineaffordsafourtosevenfoldenhancementofitsaffinityforfourcdkscouldthisbetracedbacktoconjugationinducedstiffeningslooseningsofrotationalbarriers
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