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Article

Furopyridine Derivatives as Potent Inhibitors of the Wild Type, L858R/T790M, and L858R/T790M/C797S EGFR.

The journal of physical chemistry. B - 19 Dec 2024

Todsaporn Duangjai, Zubenko Alexander, Kartsev Victor G, Mahalapbutr Panupong, Geronikaki Athina, Sirakanyan Samvel N, Divaeva Lyudmila N, Chekrisheva Victoria, Yildiz Ilkay, Choowongkomon Kiattawee, Rungrotmongkol Thanyada

Abstract excerpt

The treatment of patients with nonsmall cell lung cancer (NSCLC) using epidermal growth factor receptor (EGFR) inhibitors is complicated by drug-sensitive activating L858R/T790M and L858R/T790M/C797S mutations. To overcome drug resistance, a series of furopyridine (PD) compounds were virtually screened to identify potent EGFR inhibitors using molecular docking and molecular dynamics (MD) simulations based on the...

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Identifiers

PMID: 39639019
DOI: 10.1021/acs.jpcb.4c06246
PMCID: PMC11664582

Genes

EGFR

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