In silico screening of epidermal growth factor receptor (EGFR) in the tyrosine kinase domain through a medicinal plant compound database

Journal of Molecular Modeling

Volumn 18, Issue 3, 2012, Pages 1241-1254

  Sawatdichaikul, Orathai ^a   Hannongbua, Supa ^a   Sangma, Chak ^a   Wolschann, Peter ^b   Choowongkomon, Kiattawee ^a  

^a KASETSART UNIVERSITY   (Thailand)

^b UNIVERSITY OF VIENNA   (Austria)

Author keywords

Chemiebase database; EGFR; Structure based drug design; Tyrosine kinase; Virtual screening

Indexed keywords

1,6 HEPTADIENE 3,5 DIONE; 6 (4 HYDROXYPHENYL) 4 (ALPHA METHYLBENZYLAMINO) 7H PYRROLO[2,3 D]PYRIMIDINE; 6 [4 (4 ETHYL 1 PIPERAZINYLMETHYL)PHENYL] 4 (ALPHA METHYLBENZYLAMINO) 7H PYRROLO[2,3 D]PYRIMIDINE; AFATINIB; BINAPHTHALENE; CALOXANTHONE B; CANERTINIB; CURCUMIN; DIPHENYLHEPTANOID; EPIDERMAL GROWTH FACTOR RECEPTOR; ERLOTINIB; EUCHRESTAFLAVANONE A; EXIGUAFLAVANONE A; EXIGUAFLAVANONE B; FLAVANONE DERIVATIVE; FUNCTIONAL GROUP; GARCINONE E; GEFITINIB; HEPTANE DERIVATIVE; HERBACEOUS AGENT; IRRESSA; LAPATINIB; LESPEDEZAFLAVANONE B; NAPHTHALENE DERIVATIVE; NERATINIB; PELITINIB; PHENYLATED FLAVONE; PLANT EXTRACT; PROTEIN TYROSINE KINASE; UNCLASSIFIED DRUG; VANDETANIB; XANTHONE DERIVATIVE;

ANTINEOPLASTIC ACTIVITY; ARTICLE; COMPUTER MODEL; DATA BASE; DRUG SCREENING; HUMAN; HUMAN CELL; HYDROGEN BOND; MEDICINAL PLANT; PRIORITY JOURNAL; PROTEIN INTERACTION; SCREENING;

ANTINEOPLASTIC AGENTS; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; HUMANS; PLANTS, MEDICINAL; PROTEIN BINDING; PROTEIN KINASE INHIBITORS; PROTEIN-TYROSINE KINASES; RECEPTOR, EPIDERMAL GROWTH FACTOR;

EID: 84861330461     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-011-1135-z     Document Type: Article

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