3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors

European Journal of Medicinal Chemistry

Volumn 67, Issue , 2013, Pages 344-351

  Brogi, Simone ^a,b   Papazafiri, Panagiota ^c   Roussis, Vassilios ^c   Tafi, Andrea ^a  

^a UNIVERSITY OF SIENA   (Italy)

^b European Research Centre for Drug Discovery and Development   (Italy)

^c UNIVERSITY OF ATHENS   (Greece)

Author keywords

3D QSAR; Antiestrogenic activity; MCF 7; Pharmacophore modeling; SERM; Virtual screening

Indexed keywords

ANTINEOPLASTIC AGENT; BAS 00428237; BAS 00554321; BAS 00560252; BAS 00915531; BAS 00923912; BAS 01341618; BAS 01815214; BAS 02563581; BAS 03273466; BAS 03422315; BAS 03788392; BAS 06024259; BAS 06026925; BAS 09683919; PRASTERONE; TAMOXIFEN; UNCLASSIFIED DRUG;

ANTINEOPLASTIC ACTIVITY; ARTICLE; BREAST ADENOCARCINOMA; CANCER INHIBITION; CONTROLLED STUDY; DRUG CYTOTOXICITY; DRUG SCREENING; HUMAN; HUMAN CELL; HYDROGEN BOND; IC 50; IN VITRO STUDY; PHARMACOPHORE; PREDICTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

3D-QSAR; ANTIESTROGENIC ACTIVITY; MCF-7; PHARMACOPHORE MODELING; SERM; VIRTUAL SCREENING;

ANTINEOPLASTIC AGENTS; CELL PROLIFERATION; DOSE-RESPONSE RELATIONSHIP, DRUG; DRUG DISCOVERY; DRUG SCREENING ASSAYS, ANTITUMOR; HIGH-THROUGHPUT SCREENING ASSAYS; HUMANS; MCF-7 CELLS; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84882523749     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2013.06.048     Document Type: Article

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