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Fragment‐based Identification of Hsp90 Inhibitors
Author(s) -
Barker John J.,
Barker Oliver,
Boggio Roberto,
Chauhan Viddhata,
Cheng Robert K. Y.,
Corden Vincent,
Courtney Stephen M.,
Edwards Neil,
Falque Virginie M.,
Fusar Fulvia,
Gardiner Mihaly,
Hamelin Estelle M. N.,
Hesterkamp Thomas,
Ichihara Osamu,
Jones Richard S.,
Mather Owen,
Mercurio Ciro,
Minucci Saverio,
Montalbetti Christian A. G. N.,
Müller Annett,
Patel Deepti,
Phillips Banu G.,
Varasi Mario,
Whittaker Mark,
Winkler Dirk,
Yarnold Christopher J.
Publication year - 2009
Publication title -
chemmedchem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.817
H-Index - 100
eISSN - 1860-7187
pISSN - 1860-7179
DOI - 10.1002/cmdc.200900011
Subject(s) - in silico , hsp90 , heat shock protein , computational biology , hsp90 inhibitor , identification (biology) , drug discovery , fragment (logic) , drug , chemistry , biochemistry , biology , pharmacology , computer science , algorithm , botany , gene
Heat shock protein 90 (Hsp90) plays a key role in stress response and protection of the cell against the effects of mutation. Herein we report the identification of an Hsp90 inhibitor identified by fragment screening using a high‐concentration biochemical assay, as well as its optimisation by in silico searching coupled with a structure‐based drug design (SBDD) approach.