Insights into the structural and conformational requirements of polybrominated diphenyl ethers and metabolites as potential estrogens based on molecular docking

Chemosphere

Volumn 84, Issue 3, 2011, Pages 328-335

  Yang, Weihua ^a,b   Wei, Si ^a   Liu, Hongling ^a   Yu, Hongxia ^a  

^a NANJING UNIVERSITY   (China)

^b JIANGSU NORMAL UNIVERSITY   (China)

Author keywords

Endocrine disruptors; Estrogenic activity; Human estrogen receptor alpha; Molecular docking; Postdocking analysis

Indexed keywords

BIOMOLECULES; HYDROGEN BONDS; HYDROPHOBICITY; METABOLITES; MOLECULAR MODELING;

ENDOCRINE DISRUPTOR; ESTROGENIC ACTIVITIES; HUMAN ESTROGEN RECEPTORS; MOLECULAR DOCKING; POSTDOCKING ANALYSIS;

ORGANIC POLLUTANTS;

ARGININE; ESTROGEN; ESTROGEN RECEPTOR ALPHA; GLUTAMIC ACID; POLYBROMINATED DIPHENYL ETHER; SELECTIVE ESTROGEN RECEPTOR MODULATOR;

AMINO ACID; CHEMICAL BONDING; ESTROGENIC COMPOUND; EXPERIMENTAL STUDY; METABOLITE; MOLECULAR ANALYSIS; PBDE; TOXICITY; TOXICOLOGY;

ARTICLE; CHEMICAL INTERACTION; CONFORMATION; HUMAN; HYDROGEN BOND; HYDROPHOBICITY; METABOLITE; MOLECULAR DOCKING; STRUCTURE ANALYSIS;

EID: 79957717693     PISSN: 00456535     EISSN: 18791298     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2011.04.010     Document Type: Article

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