Discover Community Create You

Loading publication...

Noodle always counts identifier-free feature events for service operation. With your permission, Google Analytics can also estimate audience and engagement. Search text, publication identifiers, cookies, IP addresses and browser fingerprints are never included in Noodle's first-party event counters.

Privacy details

Article

Gefitinib derivatives and drug-resistance: A perspective from molecular dynamics simulations.

Computers in biology and medicine - 1 Sept 2023

Ahmadi A, Mohammadnejadi E, Razzaghi-Asl N

Abstract excerpt

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 druggable target. Gefitinib is a first-line TK inhibitor used against metastatic non-small cell lung cancer (NSCLC). Despite initial clinical response, a conserved therapeutic effect could not be achieved due to the occurrence of...

Read the complete abstract on PubMed

Topics

Share this publication in a Topic to start or enrich a Post.

Share to Antineoplastic Agents
Share to Carcinoma, Non-Small-Cell Lung
Share to ErbB Receptors

Methodology Data sources Editorial policy Privacy About Contact Helena Bioinformatics

Share to Gefitinib

Share to Lung Neoplasms

Share to Molecular Dynamics Simulation

Share to Mutation

Share to Protein Kinase Inhibitors

Source

Identifiers

PMID: 37421739
DOI: 10.1016/j.compbiomed.2023.107204

Provenance

PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

Related research

Semantic proximity does not establish scientific evidence.

Research trail→

Click a neighbor to travelStep 1 · 12 closest

Gefitinib derivatives and drug-resistance: A perspective from molecular dynamics simulations.PMID 37421739Read ↗

Investigation of molecular mechanism leading to gefitinib and osimertinib resistance against EGFR tyrosine kinase: molecular dynamics and binding free energy calculation.Semantic proximity Read ↗

Molecular Dynamic Simulations and Binding Free Energy Evaluations of Thiazolo-[2,3-b] Quinazolinone Derivatives With wtEGFR-TKD and "TMLR" Mutant EGFR-TKDSemantic proximity Read ↗

Computational screening, ensemble docking and pharmacophore analysis of potential gefitinib analogues against epidermal growth factor receptor.Semantic proximity Read ↗

Structural dynamics and kinase inhibitory activity of three generations of tyrosine kinase inhibitors against wild-type, L858R/T790M, and L858R/T790M/C797S forms of EGFR.Semantic proximity Read ↗

Uncovering the Molecular Basis for the Better Gefitinib Sensitivity of EGFR with Complex Mutations over Single Rare Mutation: Insights from Molecular Simulations.Semantic proximity Read ↗

Impact of EGFR point mutations on the sensitivity to gefitinib: Insights from comparative structural analyses and molecular dynamics simulationsSemantic proximity Read ↗

Identification of novel inhibitors targeting EGFR L858R/T790M/C797S against NSCLC by molecular docking, MD simulation, and DFT approaches.Semantic proximity Read ↗

Discovery of Novel EGFR Inhibitor Targeting Wild-Type and Mutant Forms of EGFR: In Silico and In Vitro Study.Semantic proximity Read ↗

Identification of novel drug-resistant EGFR mutant inhibitors by in silico screening using comprehensive assessments of protein structures.Semantic proximity Read ↗

Exploring binding stability of hydroxy-3-(4-hydroxyphenyl)-5-(4-nitrophenyl)-5,5a,7,8,9,9a-hexahydrothiazolo[2,3-b] quinazolin-6-one with T790M/L858R EGFR-TKD.Semantic proximity Read ↗

Structural signature of the G719S-T790M double mutation in the EGFR kinase domain and its response to inhibitors.Semantic proximity Read ↗

Furopyridine Derivatives as Potent Inhibitors of the Wild Type, L858R/T790M, and L858R/T790M/C797S EGFR.Semantic proximity Read ↗

⌁Select a neighboring publication to make it the new centre.