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- W2912669767 abstract "Abstract Next‐generation epidermal growth factor receptor (EGFR) inhibitors against the d746‐750/T790M/C797S mutation were discovered through two‐track virtual screening and de novo design. A number of nanomolar inhibitors were identified using 2‐aryl‐4‐aminoquinazoline as the molecular core and the modified binding energy function involving a proper dehydration term, which provides important structural insight into the key principles for high inhibitory activities against the d746‐750/T790M/C797S mutant. Furthermore, some of these EGFR inhibitors showed a greater than 1000‐fold selectivity for the d746‐750/T790M/C797S mutant over the wild type, as well as nanomolar activity against the mutant." @default.
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- W2912669767 date "2017-05-22" @default.
- W2912669767 modified "2023-10-16" @default.
- W2912669767 title "Discovery of EGF Receptor Inhibitors That Are Selective for the d746<b>-</b> 750/T790M/C797S Mutant through Structure-Based de Novo Design" @default.
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- W2912669767 doi "https://doi.org/10.1002/ange.201703389" @default.
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