Bisphenol‐A can bind to human glucocorticoid receptor as an agonist: an in silico study

Bisphenol‐A can bind to human glucocorticoid receptor as an agonist: an in silico study Bisphenol‐A (BPA) is a primary monomer in polycarbonate plastics and epoxy resins. BPA may be released into the environment following its formation via hydrolysis of ester bonds of the polymers. It has been detected in human plasma, placenta, amniotic fluid, amniotic chord, urine and saliva. BPA disrupts normal cell function by acting as an estrogen agonist as well as an androgen antagonist. The present study was carried out to investigate whether BPA can bind to human glucocorticoid receptor (GR) and elucidate its mode of interaction. BPA has been successfully docked in silico into the ligand binding site of GR using the program Discovery Studio 2.0. The structure has been compared with other agonist and antagonist bound structures of GR. It is found that the mode of interactions and binding energy of BPA were similar to that of DEXA and cortisol, two known agonists of GR. This reveals that BPA can bind to GR as an agonist. Hence, BPA may produce biological effects similar to that produced by glucocorticoids. Copyright © 2010 John Wiley & Sons, Ltd. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of Applied Toxicology Wiley

Bisphenol‐A can bind to human glucocorticoid receptor as an agonist: an in silico study

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Publisher
Wiley
Copyright
Copyright © 2010 John Wiley & Sons, Ltd.
ISSN
0260-437X
eISSN
1099-1263
DOI
10.1002/jat.1570
Publisher site
See Article on Publisher Site

Abstract

Bisphenol‐A (BPA) is a primary monomer in polycarbonate plastics and epoxy resins. BPA may be released into the environment following its formation via hydrolysis of ester bonds of the polymers. It has been detected in human plasma, placenta, amniotic fluid, amniotic chord, urine and saliva. BPA disrupts normal cell function by acting as an estrogen agonist as well as an androgen antagonist. The present study was carried out to investigate whether BPA can bind to human glucocorticoid receptor (GR) and elucidate its mode of interaction. BPA has been successfully docked in silico into the ligand binding site of GR using the program Discovery Studio 2.0. The structure has been compared with other agonist and antagonist bound structures of GR. It is found that the mode of interactions and binding energy of BPA were similar to that of DEXA and cortisol, two known agonists of GR. This reveals that BPA can bind to GR as an agonist. Hence, BPA may produce biological effects similar to that produced by glucocorticoids. Copyright © 2010 John Wiley & Sons, Ltd.

Journal

Journal of Applied ToxicologyWiley

Published: Nov 1, 2010

References

  • Maternal dexamethasone treatment in late gestation alters glucocorticoid and mineralocorticoid receptor mRNA in the fetal guinea pig brain
    Dean, Dean; Matthews, Matthews
  • Adrenal toxicology: a strategy for assessment of functional toxicity to the adrenal cortex and steroidogenesis
    Harvey, Harvey; Everett, Everett; Springall, Springall
  • Effects of bisphenol‐a and other endocrine disruptors compared with abnormalities of schizophrenia: an endocrine‐disruption theory of schizophrenia
    James, James; Brown, Brown
  • Fetal programming of hypothalamic–pituitary–adrenal (HPA) axis function and behavior by synthetic glucocorticoids
    Kapoor, Kapoor; Petropoulos, Petropoulos; Matthews, Matthews
  • Binding and activation of the seven‐transmembrane estrogen receptor GPR30 by environmental estrogens: A potential novel mechanism of endocrine disruption
    Thomas, Thomas; Donga, Donga
  • A structural role for hormone in the thyroid hormone receptor
    Wagner, Wagner; Apriletti, Apriletti; McGrath, McGrath; West, West; Baxter, Baxter; Fletterick, Fletterick

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