Combined Virtual and Experimental Screening for CK1 Inhibitors Identifies a Modulator of p53 and Reveals Important Aspects of in Silico Screening Performance

Combined Virtual and Experimental Screening for CK1 Inhibitors Identifies a Modulator of p53 and Reveals Important Aspects of in Silico Screening Performance

A compound collection of pronounced structural diversity was comprehensively screened for inhibitors of the DNA damage-related kinase CK1. The collection was evaluated in vitro. A potent and selective CK1 inhibitor was discovered and its capacity to modulate the endogenous levels of the CK1-regulate...

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Bibliographic Details
Main Authors: Vassilios Myrianthopoulos, Olivier Lozach, Danae Zareifi, Leonidas Alexopoulos, Laurent Meijer, Vassilis G. Gorgoulis, Emmanuel Mikros
Format: Article
Language:English
Published: MDPI AG 2017-10-01
Series:International Journal of Molecular Sciences
Subjects:
casein kinase-1
NCI diversity set-II
structure-based screening
ligand-based screening
Glide
ROCS
enrichment calculation
p53 levels
compound collection enumeration
screening template
Online Access:https://www.mdpi.com/1422-0067/18/10/2102

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https://www.mdpi.com/1422-0067/18/10/2102

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