Pharmacophore and QSAR modeling of estrogen receptor β ligands and subsequent validation and in silico search for new hits

Journal of Molecular Graphics and Modelling

Volumn 28, Issue 5, 2010, Pages 383-400

  Taha, Mutasem O ^a   Tarairah, Mai ^a   Zalloum, Hiba ^a   Abu Sheikha, Ghassan ^b  

^a UNIVERSITY OF JORDAN   (Jordan)

^b AL ZAYTOONAH UNIVERSITY OF JORDAN   (Jordan)

Author keywords

Docking; Estrogen receptor ; In silico screening; Pharmacophore modeling; QSAR; ROC

Indexed keywords

BINDING INTERACTION; BINDING MODES; BINDING POCKETS; ESTROGEN RECEPTOR; HYBRID MODEL; IN-SILICO; IN-SILICO SCREENING; MULTIPLE LINEAR REGRESSION ANALYSIS; NATIONAL CANCER INSTITUTE; OPTIMAL COMBINATION; PHARMACOPHORE MODELING; PHARMACOPHORES; PHYSICO-CHEMICAL DESCRIPTORS; QSAR MODELING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; RECEIVER OPERATOR CHARACTERISTIC CURVES;

AGRICULTURAL CHEMICALS; BINDING ENERGY; DOCKING; LINEAR REGRESSION; MATHEMATICAL OPERATORS; PHARMACODYNAMICS; SULFUR COMPOUNDS;

LIGANDS;

ESTROGEN RECEPTOR BETA;

ARTICLE; CHEMICAL STRUCTURE; COMPUTER MODEL; CONTROLLED STUDY; DATA MINING; PHARMACOPHORE; PHYSICAL CHEMISTRY; PRIORITY JOURNAL; QUANTITATIVE STRUCTURE ACTIVITY RELATION; VALIDATION STUDY;

CLUSTER ANALYSIS; ESTROGEN RECEPTOR BETA; LIGANDS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; ROC CURVE; SOFTWARE;

EID: 71849088425     PISSN: 10933263     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmgm.2009.09.005     Document Type: Article

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