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Probing conformational dynamics of EGFR mutants via SEIRA spectroscopy: potential implications for tyrosine kinase inhibitor design.

Physical chemistry chemical physics : PCCP - 11 Sept 2024

Laudadio Emiliano, Piccirilli Federica, Vondracek Henrick, Mobbili Giovanna, Semrau Marta S, Storici Paola, Galeazzi Roberta, Romagnoli Elena, Sorci Leonardo, Toma Andrea, Aglieri Vincenzo, Birarda Giovanni, Minnelli Cristina

Abstract excerpt

Missense mutations in EGFR's catalytic domain alter its function, promoting cancer. SEIRA spectroscopy, supported by MD simulations, reveals structural differences in the compactness and hydration of helical motifs between active and inactive EGFR conformations models. These findings provide novel insights into the biophysical mechanisms driving EGFR activation and drug resistance, offering a robust method for...

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Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

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PMID: 39177248
DOI: 10.1039/d4cp02232g

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