Impact of EGFR point mutations on the sensitivity to gefitinib: Insights from comparative structural analyses and molecular dynamics simulations

Proteins: Structure, Function and Genetics

Volumn 65, Issue 2, 2006, Pages 331-346

  Liu, Bing ^a,b,c   Bernard, Brandon ^a   Wu, Jian Hui ^a,b,c  

^a MCGILL UNIVERSITY   (Canada)

^b Montreal Ctr Exp Therapeut Cancer   (Canada)

^c MCGILL UNIVERSITY   (Canada)

Author keywords

ATP binding pocket; EGFR; Gefitinib resistant mutation; Gefitinib sensitizing mutation; Molecular dynamics simulations; Pharmacophore tetrahedron; Plarm algorithm

Indexed keywords

6 (2,6 DICHLOROPHENYL) 2 [3 (HYDROXYMETHYL)ANILINO] 8 METHYLPYRIDO[2,3 D]PYRIMIDIN 7(8H) ONE; ADENOSINE TRIPHOSPHATE; ANTINEOPLASTIC AGENT; ARGININE; CYSTEINE; EPIDERMAL GROWTH FACTOR RECEPTOR; ERLOTINIB; ETRAVIRINE; GEFITINIB; GLUTAMINE; GLYCINE; IMATINIB; LEUCINE; LOPINAVIR; METHIONINE; MUTANT PROTEIN; PD 17395; THREONINE; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; BINDING SITE; CONFORMATIONAL TRANSITION; CONTROLLED STUDY; DRUG PROTEIN BINDING; DRUG RESISTANCE; DRUG SENSITIVITY; ELECTRICITY; ENERGY TRANSFER; HYDROPHOBICITY; LUNG CANCER; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHARMACOPHORE; POINT MUTATION; PRIORITY JOURNAL; PROTEIN DOMAIN; STRUCTURE ANALYSIS;

ADENOSINE TRIPHOSPHATE; BINDING SITES; COMPUTATIONAL BIOLOGY; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; ELECTROSTATICS; LIGANDS; MODELS, MOLECULAR; POINT MUTATION; PROTEIN STRUCTURE, SECONDARY; PROTEIN STRUCTURE, TERTIARY; PROTO-ONCOGENE PROTEINS C-ABL; QUINAZOLINES; RECEPTOR, EPIDERMAL GROWTH FACTOR; STATIC ELECTRICITY;

EID: 33749002274     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.21111     Document Type: Article

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