Discovery of Novel Hsp90 C-Terminal Inhibitors Using 3D-Pharmacophores Derived from Molecular Dynamics Simulations

Discovery of Novel Hsp90 C-Terminal Inhibitors Using 3D-Pharmacophores Derived from Molecular Dynamics Simulations

Hsp90 C-terminal domain (CTD) inhibitors are promising novel agents for cancer treatment, as they do not induce the heat shock response associated with Hsp90 N-terminal inhibitors. One challenge associated with CTD inhibitors is the lack of a co-crystallized complex, requiring the use of predicted a...

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Bibliographic Details
Main Authors: Tihomir Tomašič, Martina Durcik, Bradley M. Keegan, Darja Gramec Skledar, Živa Zajec, Brian S. J. Blagg, Sharon D. Bryant
Format: Article
Language:English
Published: MDPI AG 2020-09-01
Series:International Journal of Molecular Sciences
Subjects:
allosteric
cancer
Hsp90
inhibitor
molecular dynamics
pharmacophores
Online Access:https://www.mdpi.com/1422-0067/21/18/6898

Internet

https://www.mdpi.com/1422-0067/21/18/6898

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