Virtual screening and biophysical studies lead to HSP90 inhibitors

Show simple item record Huang, Renjie en Ayine-Tora, Daniel en Muhammad Rosdi, MN en Li, Yu en Reynisson, Johannes en Leung, Ka Ho Ivanhoe en 2017-05-25T02:27:49Z en 2017-01-15 en
dc.identifier.citation Bioorganic & medicinal chemistry letters 27(2):277-281 Jan 2017 en
dc.identifier.issn 0960-894X en
dc.identifier.uri en
dc.description.abstract Heat shock protein 90 (HSP90) is a molecular chaperone that plays important functional roles in cells. The chaperone activity of HSP90 is regulated by the hydrolysis of ATP at the protein's N-terminal domain. HSP90, in particular the N-terminal domain, is a current inhibition target for therapeutic treatments of cancers. This paper describes an application of virtual screening, thermal shift assaying and protein NMR spectroscopy leading to the discovery of HSP90 inhibitors that contain the resorcinol structure. The resorcinol scaffold can be found in a class of HSP90 inhibitors that are currently undergoing clinical trials. The proved success of the resorcinol moiety in HSP90 inhibitors validates this combined virtual screen and biophysical technique approach, which may be applied for future inhibitor discovery work for HSP90 as well as other targets. en
dc.format.medium Print-Electronic en
dc.language eng en
dc.publisher Pergamon Press Ltd. en
dc.relation.ispartofseries Bioorganic and Medicinal Chemistry Letters en
dc.rights Items in ResearchSpace are protected by copyright, with all rights reserved, unless otherwise indicated. Previously published items are made available in accordance with the copyright policy of the publisher. en
dc.rights.uri en
dc.title Virtual screening and biophysical studies lead to HSP90 inhibitors en
dc.type Journal Article en
dc.identifier.doi 10.1016/j.bmcl.2016.11.059 en
pubs.issue 2 en
pubs.begin-page 277 en
pubs.volume 27 en
dc.rights.holder Copyright: Pergamon Press Ltd en
dc.identifier.pmid 27913182 en
pubs.end-page 281 en
dc.rights.accessrights en
pubs.subtype Article en
pubs.elements-id 551965 en Libraries & Learning Services en Libraries & Learning Services en Research and Collections en Research and Collections en Collection Development and Access en Collection Development and Access en Science en Chemistry en Science Research en Maurice Wilkins Centre (2010-2014) en
dc.identifier.eissn 1464-3405 en
pubs.record-created-at-source-date 2017-05-25 en
pubs.dimensions-id 27913182 en

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