Gene/Protein Disease Symptom Drug Enzyme Compound
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Query: UMLS:C0220723 (PCA)
 4,687 document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)

Non-small cell lung cancer (NSCLC) caused by the mutation of epidermal growth factor receptor (EGFR) is a major cause of death worldwide. EGFR Tyrosine kinase inhibitors (TKIs) have been developed against the EGFR. These TKIs produce promising results at initial stage of therapy, but the efficacy becomes limited due to the emergence of drug resistance in most cases after about an year, due to a secondary point mutation. In this work, we investigated the drug resistance mechanism due to the EGFR mutations. We performed molecular dynamics (MD) simulation for EGFR-drug interactions complexes. Euclidean distance and binding free energy are used for drug resistance analysis and drug-protein interactions visualization. A PCA-based method is proposed to find normal, rigid, flexible, and critical residues. Overall, we have established a systematic method for the visualization of protein-drug interactions, which provides an effective framework for the analysis of lung cancer drug resistance at atomic level.
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PMID:Visualization of protein-drug interactions for the analysis of lung cancer drug resistance. 3299 Dec 95