3D pharmacophore mapping using 4D QSAR analysis for the cytotoxicity of lamellarins against human hormone-dependent T47D breast cancer cells

Journal of Chemical Information and Modeling

Volumn 49, Issue 10, 2009, Pages 2312-2322

  Thipnate, Poonsiri ^a,b   Liu, Jianzhong ^c,d   Hannongbua, Supa ^a,b   Hopfinger, A J ^c,d  

^a Faculty of Engineering   (Thailand)

^b KASETSART UNIVERSITY   (Thailand)

^c UNIVERSITY OF NEW MEXICO   (United States)

^d Hospira   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

3D MODELING; CELLS; CYTOTOXICITY; DISEASES; HYDROGEN BONDS; HYDROPHOBICITY; MOLECULAR GRAPHICS; MOLECULAR MODELING; PHARMACODYNAMICS; VIRTUAL REALITY;

CROSS-CORRELATION VALUE; HIGH-THROUGHPUT SCREENS; HYDROPHOBIC INTERACTIONS; INTERMOLECULAR HYDROGEN BONDS; PHARMACOPHORE MAPPING; PHARMACOPHORE MODELING; PHARMACOPHORE MODELS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS;

COMPUTATIONAL CHEMISTRY;

ANTINEOPLASTIC AGENT; COUMARIN DERIVATIVE; HORMONE;

ARTICLE; BREAST TUMOR; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG SCREENING; HUMAN; IC 50; METABOLISM; PATHOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; TUMOR CELL LINE;

ANTINEOPLASTIC AGENTS; BREAST NEOPLASMS; CELL LINE, TUMOR; COUMARINS; DRUG EVALUATION, PRECLINICAL; HORMONES; HUMANS; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 70449120264     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci9002427     Document Type: Article

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