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Article

Deciphering the T790M/L858R-Selective Inhibition Mechanism of an Allosteric Inhibitor of EGFR: Insights from Molecular Simulations.

ACS chemical neuroscience - 3 Feb 2021

Li Miaomiao, Guo Jingjing

Abstract excerpt

Allosteric inhibitors have lately received great attention because of their unique advantages, representing a more suitable choice for combinatory therapeutics targeting resistance-relevant signaling cascades. Among the various inhibitors, an allosteric small-molecule inhibitor, JBJ-04-125-02, has been proven to be effective against EGFRT790M/L858R mutant in vivo and in vitro. Herein, an in silico approach was...

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PMID: 33435671
DOI: 10.1021/acschemneuro.0c00633

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