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Hybrid Compound Design To Overcome the Gatekeeper T338M Mutation in cSrc

Authors: Matthias Rabiller; Jeffrey R. Simard; Matthäus Getlik; Sabine Klüter; Haridas B. Rode; Armin Robubi; Daniel Rauh; +1 Authors

Hybrid Compound Design To Overcome the Gatekeeper T338M Mutation in cSrc

Abstract

The emergence of drug resistance remains a fundamental challenge in the development of kinase inhibitors that are effective over long-term treatments. Allosteric inhibitors that bind to sites lying outside the highly conserved ATP pocket are thought to be more selective than ATP-competitive inhibitors and may circumvent some mechanisms of drug resistance. Crystal structures of type I and allosteric type III inhibitors in complex with the tyrosine kinase cSrc allowed us to employ principles of structure-based design to develop these scaffolds into potent type II kinase inhibitors. One of these compounds, 3c (RL46), disrupts FAK-mediated focal adhesions in cancer cells via direct inhibition of cSrc. Details gleaned from crystal structures revealed a key feature of a subset of these compounds, a surprising flexibility in the vicinity of the gatekeeper residue that allows these compounds to overcome a dasatinib-resistant gatekeeper mutation emerging in cSrc.

Keywords

Focal Adhesions, Mutation, Missense, Protein-Tyrosine Kinases, Crystallography, X-Ray, Cell Line, CSK Tyrosine-Protein Kinase, Structure-Activity Relationship, src-Family Kinases, Drug Resistance, Neoplasm, Drug Design, Neoplasms, Proto-Oncogene Proteins, Animals, Humans, Pyrazoles, Urea, Protein Kinase Inhibitors, Allosteric Site

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Powered by OpenAIRE graph
citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
130
Top 10%
Top 10%
Top 1%