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PDBsum entry 4cwp
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References listed in PDB file
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Key reference
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Title
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Fragment-Based hit discovery and structure-Based optimization of aminotriazoloquinazolines as novel hsp90 inhibitors.
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Authors
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E.Casale,
N.Amboldi,
M.G.Brasca,
D.Caronni,
N.Colombo,
C.Dalvit,
E.R.Felder,
G.Fogliatto,
A.Galvani,
A.Isacchi,
P.Polucci,
L.Riceputi,
F.Sola,
C.Visco,
F.Zuccotto,
F.Casuscelli.
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Ref.
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Bioorg Med Chem Lett, 2014,
22,
4135-4150.
[DOI no: ]
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PubMed id
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Abstract
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In the last decade the heat shock protein 90 (Hsp90) has emerged as a major
therapeutic target and many efforts have been dedicated to the discovery of
Hsp90 inhibitors as new potent anticancer agents. Here we report the
identification of a novel class of Hsp90 inhibitors by means of a biophysical
FAXS-NMR based screening of a library of fragments. The use of X-ray structure
information combined with modeling studies enabled the fragment evolution of the
initial triazoloquinazoline hit to a class of compounds with nanomolar potency
and drug-like properties suited for further lead optimization.
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