Uncovering the Mechanism of Drug Resistance Caused by the T790M Mutation in EGFR Kinase From Absolute Binding Free Energy Calculations

Uncovering the Mechanism of Drug Resistance Caused by the T790M Mutation in EGFR Kinase From Absolute Binding Free Energy Calculations

The emergence of drug resistance may increase the death rates in advanced non-small cell lung cancer (NSCLC) patients. The resistance of erlotinib, the effective first-line antitumor drug for NSCLC with the L858R mutation of epidermal growth factor receptor (EGFR), happens after the T790M mutation o...

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Bibliographic Details
Main Authors: Huaxin Zhou, Haohao Fu, Han Liu, Xueguang Shao, Wensheng Cai
Format: Article
Language:English
Published: Frontiers Media S.A. 2022-05-01
Series:Frontiers in Molecular Biosciences
Subjects:
absolute binding free energy calculation
Epidermal Growth Factor Receptor (EGFR)
T790M mutation
drug resistance
molecular dynamics simulation
BFEE2
Online Access:https://www.frontiersin.org/articles/10.3389/fmolb.2022.922839/full

Internet

https://www.frontiersin.org/articles/10.3389/fmolb.2022.922839/full

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