Docking and molecular dynamics study on the inhibitory activity of novel inhibitors on epidermal growth factor receptor (EGFR)

Medicinal Chemistry

Volumn 7, Issue 1, 2011, Pages 24-31

  Liao, Qing Hua ^a   Gao, Qing Zhi ^a,b   Wei, Jing ^a   Chou, Kuo Chen ^b  

^a TIANJIN UNIVERSITY   (China)

^b GORDON LIFE SCIENCE INSTITUTE   (United States)

Author keywords

Binding mechanism; Cancer; EGFR; Molecular docking; Molecular dynamics; Tyrosine kinase inhibitors

Indexed keywords

2,7 DIAMINOTHIAZOLO[4,5 D]PYRIMIDINE DERIVATIVE; AMINO ACID; ASPARTIC ACID; EPIDERMAL GROWTH FACTOR RECEPTOR; EPIDERMAL GROWTH FACTOR RECEPTOR KINASE INHIBITOR; LAPATINIB; METHIONINE; PYRIMIDINE DERIVATIVE; UNCLASSIFIED DRUG;

AMINO ACID SEQUENCE; ARTICLE; BINDING SITE; DRUG RECEPTOR BINDING; HYDROGEN BOND; HYDROPHOBICITY; IC 50; MOLECULAR DOCKING; MOLECULAR DYNAMICS; PRIORITY JOURNAL; PROTEIN STRUCTURE; STRUCTURE ANALYSIS; VALIDATION PROCESS;

ANTINEOPLASTIC AGENTS; DRUG DESIGN; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; MOLECULAR TARGETED THERAPY; NEOPLASMS; PROTEIN BINDING; PYRIMIDINES; RECEPTOR, EPIDERMAL GROWTH FACTOR; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 78751481832     PISSN: 15734064     EISSN: None     Source Type: Journal    
DOI: 10.2174/157340611794072698     Document Type: Article

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