Design and synthesis of thiadiazoles and thiazoles targeting the Bcr-Abl T315I mutant: from docking false positives to ATP-noncompetitive inhibitors.
Radi
Marco
M
Dipartimento Farmaco Chimico Tecnologico, University of Siena, Italy.
Crespan
Emmanuele
E
Falchi
Federico
F
Bernardo
Vincenzo
V
Zanoli
Samantha
S
Manetti
Fabrizio
F
Schenone
Silvia
S
Maga
Giovanni
G
Botta
Maurizio
M
D000255:Adenosine Triphosphate / Q000378:metabolism; D000494:Allosteric Regulation; D019943:Amino Acid Substitution; D001549:Benzamides / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D001665:Binding Sites; D003198:Computer Simulation; D015195:Drug Design; D016044:Fusion Proteins, bcr-abl / Q000737:chemistry* / Q000235:genetics / Q000378:metabolism; D016297:Mutagenesis, Site-Directed; D013830:Thiadiazoles / Q000138:chemical synthesis* / Q000737:chemistry / Q000494:pharmacology; D013844:Thiazoles / Q000138:chemical synthesis / Q000737:chemistry* / Q000494:pharmacology
D001549:Benzamides; D013830:Thiadiazoles; D013844:Thiazoles; C058949:1,3,4-thiadiazole; D000255:Adenosine Triphosphate; D016044:Fusion Proteins, bcr-abl