Anti-androgen activity of polybrominated diphenyl ethers determined by comparative molecular similarity indices and molecular docking

Chemosphere

Volumn 75, Issue 9, 2009, Pages 1159-1164

  Yang, Weihua ^a,b   Mu, Yunsong ^a   Giesy, John P ^a,c,d,e   Zhang, Aiqian ^a   Yu, Hongxia ^a  

^a NANJING UNIVERSITY   (China)

^b JIANGSU NORMAL UNIVERSITY   (China)

^c UNIVERSITY OF SASKATCHEWAN   (Canada)

^d National Food Safety and Toxicology Center   (United States)

^e CITY UNIVERSITY OF HONG KONG   (Hong Kong)

Author keywords

3D QSAR; Androgen receptor; Endocrine disruptors; Ligand receptor interaction; Molecular docking; Toxicological mechanisms

Indexed keywords

3D-QSAR; ANDROGEN RECEPTOR; ENDOCRINE-DISRUPTORS; LIGAND-RECEPTOR INTERACTION; MOLECULAR DOCKING; TOXICOLOGICAL MECHANISMS;

ARGON; BINDING ENERGY; BINDING SITES; DOCKING; ENZYME INHIBITION; ETHERS; LIGANDS; MOLECULAR GRAPHICS; MOLECULAR MODELING; ORGANIC POLLUTANTS; SULFUR COMPOUNDS;

THREE DIMENSIONAL;

ANDROGEN RECEPTOR; POLYBROMINATED DIPHENYL ETHER;

ANDROGEN; ANTAGONISM; ENDOCRINE DISRUPTOR; HYDROPHOBICITY; LIGAND; MOLECULAR ANALYSIS; PBDE; TOXICOLOGY;

ANTIANDROGEN ACTIVITY; ARTICLE; BINDING SITE; BIOLOGICAL ACTIVITY; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; CONFORMATION; ELECTRICITY; HYDROPHOBICITY; MOLECULAR DOCKING; STRUCTURE ACTIVITY RELATION;

COMPUTER SIMULATION; ENDOCRINE DISRUPTORS; ENVIRONMENTAL POLLUTANTS; HALOGENATED DIPHENYL ETHERS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, ANDROGEN; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 67349250409     PISSN: 00456535     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemosphere.2009.02.047     Document Type: Article

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