A structure-based 3D-QSAR study of anthrapyrazole analogues of the anticancer agents losoxantrone and piroxantrone

Journal of Chemical Information and Modeling

Volumn 46, Issue 4, 2006, Pages 1827-1835

  Liang, Hong ^a   Wu, Xing ^a   Guziec, Lynn J ^b   Guziec, Frank S ^b   Larson, Kimberly K ^b   Lang, Jennifer ^b   Yalowich, Jack C ^c   Hasinoff, Brian B ^a  

^a UNIVERSITY OF MANITOBA   (Canada)

^b SOUTHWESTERN UNIVERSITY   (United States)

^c UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYST ACTIVITY; COMPUTER SIMULATION; DNA; ENZYME INHIBITION; HYDROGEN BONDS; MOLECULAR DYNAMICS; ONCOLOGY; TUMORS;

ANTHRAPYRAZOLE ANALOGUES; ANTICANCER AGENTS; COMPARATIVE MOLECULAR FIELD ANALYSIS (COMFA); COMPARATIVE MOLECULAR SIMILARITY INDEX (COMSIA);

DRUG PRODUCTS;

ANTHRACYCLINE; ANTHRAPYRAZOLE; ANTHRAQUINONE DERIVATIVE; ANTINEOPLASTIC AGENT; DNA; DNA BINDING PROTEIN; DNA TOPOISOMERASE (ATP HYDROLYSING); DNA TOPOISOMERASE II ALPHA; LOSOXANTRONE; OXANTHRAZOLE; PYRAZOLE DERIVATIVE; PYRAZOLONE DERIVATIVE; TUMOR ANTIGEN;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DNA DENATURATION; DRUG EFFECT; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ANTHRACYCLINES; ANTHRAQUINONES; ANTIGENS, NEOPLASM; ANTINEOPLASTIC AGENTS; DNA; DNA TOPOISOMERASES, TYPE II, EUKARYOTIC; DNA-BINDING PROTEINS; MODELS, MOLECULAR; NUCLEIC ACID CONFORMATION; NUCLEIC ACID DENATURATION; PYRAZOLES; PYRAZOLONES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33746893422     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci060056y     Document Type: Article

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