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.
Design and Synthesis of Thiadiazoles and Thiazoles Targeting the Bcr-Abl T315I Mutant: from Docking False Positives to ATP-Noncompetitive Inhibitors / Radi, Marco; Emmanuele, Crespan; Federico, Falchi; Vincenzo, Bernardo; Samantha, Zanoli; Fabrizio, Manetti; Silvia, Schenone; Giovanni, Maga; Maurizio, Botta. - In: CHEMMEDCHEM. - ISSN 1860-7179. - 5:(2010), pp. 1226-1231. [10.1002/cmdc.201000066]
Design and Synthesis of Thiadiazoles and Thiazoles Targeting the Bcr-Abl T315I Mutant: from Docking False Positives to ATP-Noncompetitive Inhibitors
RADI, Marco;
2010-01-01
Abstract
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.| File | Dimensione | Formato | |
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