Homology model of the rainbow trout estrogen receptor (rtERalpha) and docking of endocrine disrupting chemicals (EDCs)

SAR and QSAR in Environmental Research
N Marchand-GenesteJ Devillers

Abstract

A model for rainbow trout (Oncorhynchus mykiss) estrogen receptor (rtERa) was built by homology with the human estrogen receptor (hERa). A high level of sequence conservation between the two receptors was found with 64% and 80% of identity and similarity, respectively. Selected endocrine disrupting chemicals were docked into the ligand binding domain (LBD) of rtERa and the corresponding free binding energies Delta(DeltaG(bind)) values were calculated. A Quantitative Structure-Activity Relationship (QSAR) model between the relative binding affinity data and the Delta(DeltaG(bind)) values was derived in order to predict which further organic pollutants are likely to bind to rtERa.

References

Oct 24, 1997·Nature·A M BrzozowskiM Carlquist
Aug 31, 2000·Environmental Health Perspectives·H FangD M Sheehan
Feb 13, 2001·The Journal of Steroid Biochemistry and Molecular Biology·J MatthewsT Zacharewski
Feb 28, 2001·The Journal of Steroid Biochemistry and Molecular Biology·T MoriH Yokota
Jun 20, 2002·SAR and QSAR in Environmental Research·P SchmiederO Mekenyan
Dec 14, 2002·SAR and QSAR in Environmental Research·O MekenyaJ Walker
Jun 26, 2003·Nucleic Acids Research·Torsten SchwedeManuel C Peitsch
Apr 29, 2004·SAR and QSAR in Environmental Research·A H AsikainenK A Tuppurainen
Apr 29, 2004·SAR and QSAR in Environmental Research·A R CunninghamH S Rosenkranz
Apr 23, 2005·SAR and QSAR in Environmental Research·T Ghafourian, M T D Cronin

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Citations

Dec 18, 2010·Toxicological Sciences : an Official Journal of the Society of Toxicology·Abby D BenninghoffDavid E Williams
Jan 27, 2009·Biochemical and Biophysical Research Communications·Jianzhou CuiYoshitaka Nagahama
Jan 12, 2010·Cellular and Molecular Life Sciences : CMLS·Albane le MairePatrick Balaguer

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