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Assessment of the Endocrine-Disrupting Effects of Trichloroethylene and Its Metabolites Using in Vitro and in Silico Approaches
- Source :
- Environmental Science & Technology. 52:1542-1550
- Publication Year :
- 2018
- Publisher :
- American Chemical Society (ACS), 2018.
-
Abstract
- Trichloroethylene (TCE) is a ubiquitous environmental contaminant, which may have effects on both ecosystem and human health. TCE has been reported to cause several toxic effects, but little effort has been made to assess the ecological risks of TCE or its major metabolites: trichloroethanol (TCOH), trichloroacetic acid, and oxalic acid (OA). In this study, the endocrine-disrupting potential of TCE and its metabolites were investigated using in vitro and in silico approaches. We examined alterations in the steroidogenesis pathway using the NCI-H295R cell line and utilized receptor-mediated luciferase reporter cell lines to identify effects on estrogen and androgen receptors. Molecular docking was also used to explore chemical interactions with these receptors. All test chemicals except OA significantly increased 17β-estradiol production which can be attributed to an up-regulation of 17β-hydroxysteroid dehydrogenase. Moreover, TCOH exhibited significant anti-estrogenic activity with a RIC20 (20% relative inhibitory concentration) of 3.7 × 10−7 M. Molecular docking simulation supported this finding with lower docking scores for TCOH, indicating that hydrogen bonds may stabilize the interaction between TCOH and the estrogen receptor binding pocket. These findings suggest that TCE contamination poses an endocrine-disrupting threat, which has implications for both ecological and human health.
- Subjects :
- 0301 basic medicine
Trichloroethylene
medicine.drug_class
In silico
010501 environmental sciences
01 natural sciences
Article
Cell Line
03 medical and health sciences
chemistry.chemical_compound
medicine
Humans
Environmental Chemistry
Trichloroacetic Acid
Trichloroacetic acid
Receptor
Ecosystem
0105 earth and related environmental sciences
General Chemistry
In vitro
Molecular Docking Simulation
Androgen receptor
030104 developmental biology
chemistry
Biochemistry
Cell culture
Estrogen
Subjects
Details
- ISSN :
- 15205851 and 0013936X
- Volume :
- 52
- Database :
- OpenAIRE
- Journal :
- Environmental Science & Technology
- Accession number :
- edsair.doi.dedup.....0d3eecb4c315648ff705fd932ac69219