Impact of EGFR point mutations on the sensitivity to gefitinib: insights from comparative structural analyses and molecular dynamics simulations
B Liu, B Bernard, JH Wu - Proteins: Structure, Function, and …, 2006 - Wiley Online Library
Emergence of resistant mutations in drug targets represents a serious problem in the
targeted chemotherapy. One challenging issue is to understand the atomic‐detailed effect of …
targeted chemotherapy. One challenging issue is to understand the atomic‐detailed effect of …
Gefitinib derivatives and drug-resistance: A perspective from molecular dynamics simulations
A Ahmadi, E Mohammadnejadi… - Computers in Biology and …, 2023 - Elsevier
Epidermal-growth factor receptor (EGFR) is a transmembrane tyrosine kinase (TK) with a
significant role in cell survival. EGFR is upregulated in various cancer cells and known as a …
significant role in cell survival. EGFR is upregulated in various cancer cells and known as a …
Binding mechanism of kinase inhibitors to EGFR and T790M, L858R and L858R/T790M mutants through structural and energetic analysis
M Bello - International journal of biological macromolecules, 2018 - Elsevier
Experimental studies have demonstrated that L858R mutation in the EGF receptor (EGFR)
confers tumor sensitivity whereas T790M and L858R/T790M mutations cause resistance to …
confers tumor sensitivity whereas T790M and L858R/T790M mutations cause resistance to …
Structural signature of the G719S-T790M double mutation in the EGFR kinase domain and its response to inhibitors
C Chakraborty, NS N, SK Ali, H Zhu - Scientific reports, 2014 - nature.com
Some individuals with non-small-cell lung cancer (NSCLC) benefit from therapies targeting
epidermal growth factor receptor (EGFR) and the characterization of a new mechanism of …
epidermal growth factor receptor (EGFR) and the characterization of a new mechanism of …
Mechanism of drug efficacy within the EGF receptor revealed by microsecond molecular dynamics simulation
The EGF receptor (EGFR) regulates important cellular processes including proliferation,
differentiation, and apoptosis. EGFR is frequently overexpressed in a range of cancers and …
differentiation, and apoptosis. EGFR is frequently overexpressed in a range of cancers and …
Uncovering the molecular basis for the better gefitinib sensitivity of EGFR with complex mutations over single rare mutation: insights from molecular simulations
Epidermal growth factor receptor (EGFR) is an intensively focused target for anti-tumor
compounds used in non-small cell lung cancer (NSCLC) therapy. Compared to the classical …
compounds used in non-small cell lung cancer (NSCLC) therapy. Compared to the classical …
A systematic profile of clinical inhibitors responsive to EGFR somatic amino acid mutations in lung cancer: implication for the molecular mechanism of drug resistance …
X Ai, Y Sun, H Wang, S Lu - Amino Acids, 2014 - Springer
Human epidermal growth factor receptor (EGFR) has become a well-established target for
the treatment of patients with non-small cell lung cancer (NSCLC). However, a large number …
the treatment of patients with non-small cell lung cancer (NSCLC). However, a large number …
Insight into binding mechanisms of EGFR allosteric inhibitors using molecular dynamics simulations and free energy calculations
S Wan, R Yan, Y Jiang, Z Li, J Zhang… - Journal of Biomolecular …, 2019 - Taylor & Francis
Lung cancer is the leading cause of cancer death, and epidermal growth factor receptor
(EGFR) kinase domain mutations are a common cause of non-small-cell lung cancer …
(EGFR) kinase domain mutations are a common cause of non-small-cell lung cancer …
EGFR Mutant Structural Database: computationally predicted 3D structures and the corresponding binding free energies with gefitinib and erlotinib
Background Epidermal growth factor receptor (EGFR) mutation-induced drug resistance has
caused great difficulties in the treatment of non-small-cell lung cancer (NSCLC). However …
caused great difficulties in the treatment of non-small-cell lung cancer (NSCLC). However …
Microsecond-timescale MD simulation of EGFR minor mutation predicts the structural flexibility of EGFR kinase core that reflects EGFR inhibitor sensitivity
T Yoshizawa, K Uchibori, M Araki, S Matsumoto… - NPJ Precision …, 2021 - nature.com
Abstract Approximately 15–30% of patients with lung cancer harbor mutations in the EGFR
gene. Major EGFR mutations (> 90% of EGFR-mutated lung cancer) are highly sensitive to …
gene. Major EGFR mutations (> 90% of EGFR-mutated lung cancer) are highly sensitive to …
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