QSAR study of natural estrogen-like isoflavonoids and diphenolics from Thai medicinal plants

Journal of Molecular Graphics and Modelling

Volumn 29, Issue 6, 2011, Pages 784-794

  De Eknamkul, Wanchai ^a,b   Umehara, Kaoru ^b,c   Monthakantirat, Orawan ^a,c,d   Toth, Radovan ^e   Frecer, Vladimir ^b,f,g   Knapic, Lorena ^e   Braiuca, Paolo ^b,e   Noguchi, Hiroshi ^c   Miertus, Stanislav ^b  

^a CHULALONGKORN UNIVERSITY   (Thailand)

^b UNIDO   (Italy)

^c UNIVERSITY OF SHIZUOKA   (Japan)

^d KHON KAEN UNIVERSITY   (Thailand)

^e UNIVERSITY OF TRIESTE   (Italy)

^f Physics and Informatics   (Slovakia)

^g CANCER RESEARCH INSTITUTE   (Slovakia)

Author keywords

Belamcanda chinensis; Dalbergia parviflora; Isoflavonoids; Molecular modeling; QSAR

Indexed keywords

BELAMCANDA CHINENSIS; BREAST CANCER; COMPETITIVE INTERACTIONS; COMPUTATIONAL TECHNIQUE; DALBERGIA PARVIFLORA; DESCRIPTORS; ESTROGEN ACTIVITY; ESTROGENIC ACTIVITIES; HYDROXYL GROUPS; INTER-ATOMIC DISTANCES; IRIDACEAE; ISOFLAVONES; ISOFLAVONOIDS; LEGUMINOSAE; LIGAND-RECEPTOR INTERACTIONS; MEDICINAL PLANTS; MOLECULAR SCAFFOLDS; NATURAL ESTROGEN; PHYTOCHEMICALS; PRESENCE/ABSENCE; QSAR; QSAR MODEL; QSAR STUDIES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; SCORING FUNCTIONS; TERMINAL POSITION; VIRTUAL SCREENING;

BINDING ENERGY; CELL PROLIFERATION; MOLECULAR GRAPHICS; MOLECULAR MODELING; PLANTS (BOTANY);

COMPUTATIONAL CHEMISTRY;

ESTROGEN RECEPTOR ALPHA; ESTROGEN RECEPTOR BETA; HYDROXYL GROUP; ISOFLAVONOID; PHENOL DERIVATIVE;

ARTICLE; BELAMCANDA CHINENSIS; BINDING AFFINITY; BREAST CANCER; CANCER CELL CULTURE; CELL PROLIFERATION; CONTROLLED STUDY; DALBERGIA; DALBERGIA PARVIFLORA; DRUG POTENCY; DRUG SCREENING; DRUG SYNTHESIS; ESTROGEN ACTIVITY; HORMONE RECEPTOR INTERACTION; HUMAN; HUMAN CELL; MEDICINAL PLANT; MOLECULAR MODEL; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

BIPHENYL COMPOUNDS; BREAST NEOPLASMS; CELL LINE, TUMOR; DALBERGIA; FEMALE; FLAVONOIDS; HUMANS; HYDROXYL RADICAL; IRIDACEAE; ISOFLAVONES; MODELS, MOLECULAR; PHYTOESTROGENS; PLANT EXTRACTS; PLANTS, MEDICINAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, ESTROGEN; THAILAND;

BELAMCANDA CHINENSIS; DALBERGIA; FABACEAE; IRIDACEAE;

EID: 79953291904     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2011.01.001     Document Type: Article

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