Computer simulations reveal a novel nucleotide-type binding orientation for ellipticine-based anticancer c-kit kinase inhibitors

Biochemistry

Volumn 47, Issue 39, 2008, Pages 10333-10344

  Thompson, Damien ^a   Miller, Charlotte ^b   McCarthy, Florence O ^b  

^a UNIVERSITY COLLEGE CORK   (Ireland)

^b UNIVERSITY COLLEGE CORK   (Ireland)

Author keywords

[No Author keywords available]

Indexed keywords

AMINO ACIDS; CHEMOTHERAPY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; NUCLEIC ACIDS;

BINDING ORIENTATION; CANCER CHEMOTHERAPIES; CELL SIGNALLING; COMPUTER SIMULATIONS; ELLIPTICINE; KINASE INHIBITORS; MALIGNANT CANCERS; PROTEIN RESIDUES; RECEPTOR-TYROSINE KINASES; SIMULATION STUDIES; SIMULATION TOOLS; STEM CELL FACTOR;

BIOTECHNOLOGY;

ADENOSINE DIPHOSPHATE; ASPARTIC ACID; ELLIPTICINE; MAGNESIUM; NUCLEOTIDE DERIVATIVE; PROTEIN TYROSINE KINASE; STEM CELL FACTOR; STEM CELL FACTOR RECEPTOR; VALINE;

ANTINEOPLASTIC ACTIVITY; ARTICLE; COMPLEX FORMATION; COMPUTER SIMULATION; DRUG BINDING; GENE MUTATION; GENETIC VARIABILITY; LIGAND BINDING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PHARMACOPHORE; PRIORITY JOURNAL; PROTEIN STABILITY; PROTON TRANSPORT; RECEPTOR BINDING; REGULATORY MECHANISM; SIGNAL TRANSDUCTION; THERMODYNAMICS; X RAY CRYSTALLOGRAPHY;

ADENOSINE DIPHOSPHATE; ANTINEOPLASTIC AGENTS; BINDING SITES; COMPUTER SIMULATION; ELLIPTICINES; LIGANDS; MAGNESIUM; MODELS, MOLECULAR; PROTEIN CONFORMATION; PROTO-ONCOGENE PROTEINS C-KIT; STRUCTURE-ACTIVITY RELATIONSHIP; THERMODYNAMICS;

EID: 52949113058     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi801239u     Document Type: Article

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