Article (Scientific journals)
Binding of iodinated contrast media (ICM) and their transformation products with hormone receptors: Are ICM the new EDCs?
Singh, Randolph; Rajnarayanan, Rajendram; Aga, Diana
2019In Science of the Total Environment
Peer Reviewed verified by ORBi
 

Files


Full Text
Binding of iodinated contrast media (ICM) and their transformation products with hormone receptors_ Are ICM the new EDCs.pdf
Author postprint (768.51 kB)
Request a copy

All documents in ORBilu are protected by a user license.

Send to



Details



Keywords :
Iodinated contrast media; In silico approach; Bioaccumulation; Endocrine disrupting compounds; Nuclear receptor
Abstract :
[en] Iodinated contrast media (ICM) have been detected at high concentrations (as high as about 3 μg/L) in surface water systems, and recently in fish brains and gonad. The mismatch between the polarity of ICM and the high lipid content of brain raises questions on whether their bioaccumulation is receptor-mediated. Furthermore, the structural similarity of ICM to the natural thyroid hormones thyroxine and triiodothyronine suggest potential binding of ICM to nuclear receptors in the endocrine system. Therefore, an in silico approach based on Surflex-Dock module of SYBYL was used to investigate the molecular docking of selected ICM (diatrizoic acid, iohexol, iopamidol, and iopromide). These ICM showed interaction with nuclear receptors that play key roles in endocrine regulation, including the androgen and estrogen receptors. Furthermore, the results indicate peroxisome proliferator-activated receptor gamma (PPARg) as one of the viable targets in the endocrine disrupting potential of ICM with higher Cscores for the ICM and iopromide transformation products than the reference ligand for the receptor. The data obtained from in silico calculations showed stronger binding of iohexol to the transthyretin-binding pocket compared to the natural hormones, thyroxine and triiodothyronine, suggesting the potential of ICM to act as endocrine disrupting chemicals (EDCs) in the environment.
Disciplines :
Environmental sciences & ecology
Author, co-author :
Singh, Randolph ;  University of Luxembourg > Luxembourg Centre for Systems Biomedicine (LCSB)
Rajnarayanan, Rajendram
Aga, Diana
External co-authors :
yes
Language :
English
Title :
Binding of iodinated contrast media (ICM) and their transformation products with hormone receptors: Are ICM the new EDCs?
Publication date :
2019
Journal title :
Science of the Total Environment
ISSN :
1879-1026
Publisher :
Elsevier, Amsterdam, Netherlands
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBilu :
since 23 January 2020

Statistics


Number of views
44 (1 by Unilu)
Number of downloads
0 (0 by Unilu)

Scopus citations®
 
10
Scopus citations®
without self-citations
10
OpenCitations
 
7
WoS citations
 
8

Bibliography


Similar publications



Contact ORBilu