ArticleThe Journal of international medical research2025
Comparing the effect of traditional and novel tyrosine kinase inhibitors for epidermal growth factor receptor exon 20 insertions by molecular dynamics simulation.
Article in The Journal of international medical research, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
BackgroundExon 20 insertions of epidermal growth factor receptor (EGFR) exhibit varying sensitivity to traditional and novel tyrosine kinase inhibitors for non-small cell lung cancer.MethodsMolecular dynamics simulations were used to investigate the structural dynamics of wild-type EGFR and three representative exon 20 insertion mutations: V769_D770insASV (ASV), D770_N771insSVD (SVD), and N773_insNPH (NPH). Furthermore, the binding mechanisms of osimertinib and mobocertinib were explored to understand their efficacy across different EGFR variants.ResultsIn this study, we found that binding to osimertinib and mobocertinib changed the free energy landscapes for ASV-, SVD- and NPH-
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