Design and Synthesis of Thiadiazoles and Thiazoles Targeting the Bcr-Abl T315I Mutant: from Docking False Positives to ATP-Noncompetitive Inhibitors
Journal article published in 2010 by
Marco Radi,
Emmanuele Crespan,
Federico Falchi 
,
Vincenzo Bernardo,
Samantha Zanoli,
Fabrizio Manetti ,
Silvia Schenone,
Giovanni Maga,
Maurizio Botta
,
Vincenzo Bernardo,
Samantha Zanoli,
Fabrizio Manetti ,
Silvia Schenone,
Giovanni Maga,
Maurizio Botta
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Abstract
(Figure Presented) Overcoming resistance: In an effort to optimize our previously identified dual Src/Abl hits, a new series of 1,3,4-thiadiazoles and 1,3-thiazoles were designed and synthesized, paying particular attention to the reduction of their lipophilicity and to the improvement of the affinity towards the drug-resistant T315I mutant. Compound 5 was identified as a promising allosteric inhibitor of the T315I mutant.