Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor

Ecotoxicology and Environmental Safety

Volumn 80, Issue , 2012, Pages 273-279

  Li, Fei ^a   Wu, Huifeng ^a   Li, Lianzhen ^a   Li, Xuehua ^b   Zhao, Jianmin ^a   Peijnenburg, Willie J G M ^c,d  

^a YANTAI INSTITUTE OF COASTAL ZONE RESEARCH   (China)

^b DALIAN UNIVERSITY OF TECHNOLOGY   (China)

^c NATIONAL INSTITUTE FOR PUBLIC HEALTH AND THE ENVIRONMENT   (Netherlands)

^d LEIDEN UNIVERSITY   (Netherlands)

Author keywords

Applicability domain; Estrogenic activity; Molecular docking; Polycyclic aromatic hydrocarbons (PAHs); Quantitative structure activity relationship (QSAR)

Indexed keywords

ESTROGEN RECEPTOR ALPHA; POLYCYCLIC AROMATIC HYDROCARBON DERIVATIVE;

ESTROGENIC COMPOUND; HYDROPHOBICITY; PAH; QUANTITATIVE ANALYSIS;

ARTICLE; CONTROLLED STUDY; ESTROGEN ACTIVITY; HYDROGEN BOND; HYDROPHOBICITY; MOLECULAR DOCKING; MOLECULAR INTERACTION; PREDICTION; PROCESS DEVELOPMENT; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEPTOR AFFINITY; RECEPTOR BINDING; VALIDATION PROCESS;

ENDOCRINE DISRUPTORS; ENVIRONMENTAL POLLUTANTS; ESTROGEN RECEPTOR ALPHA; HYDROGEN BONDING; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MODELS, MOLECULAR; POLYCYCLIC HYDROCARBONS, AROMATIC; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84860524710     PISSN: 01476513     EISSN: 10902414     Source Type: Journal    
DOI: 10.1016/j.ecoenv.2012.03.009     Document Type: Article

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