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Article

Deciphering the Mechanism of Binding Selectivity of Chlorofluoroacetamide-Based Covalent Inhibitors toward L858R/T790M Resistance Mutation.

Journal of chemical information and modeling - 28 Feb 2022

Akher Farideh Badichi, Farrokhzadeh Abdolkarim, Ravenscroft Neil, Kuttel Michelle M

Abstract excerpt

Covalent modification of the oncogenic mutant epidermal growth factor receptor (EGFR) by small molecules is an efficient strategy for achieving an enhanced and sustained pharmacological effect in the treatment of non-small-cell lung cancer. NSP-037 (18), an irreversible inhibitor of the L858R/T790M double-mutant EGFR (EGFRDM) using α-chlorofluoroacetamide (CFA) as a novel warhead, has seven times the inhibition...

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PMID: 35119858
DOI: 10.1021/acs.jcim.1c01399

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