Interaction and molecular dynamics simulation study of Osimertinib (AstraZeneca 9291) anticancer drug with the EGFR kinase domain in native protein and mutated L844V and C797S.

Vahideh AssadollahiBehnam RashidiehMasoud AlasvandAlina AbdolahiJ Alejandro Lopez

Published in: Journal of cellular biochemistry (2019)

According to our computational simulation, the results supported the experimental models and, therefore, could confirm and predict the molecular mechanism of drug efficacy.

Keyphrases

molecular dynamics simulations
small cell lung cancer
epidermal growth factor receptor
tyrosine kinase
molecular docking
advanced non small cell lung cancer
adverse drug
amino acid
protein protein
electronic health record