Article (Scientific journals)
Molecular modeling of phthalates – PPARs interactions
Kambia, Nicolas; Renault, Nicolas; Dilly, Sébastien et al.
2008In Journal of Enzyme Inhibition and Medicinal Chemistry, 23 (5), p. 611-616
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Keywords :
DEHP; MEHP; TOTM; PPARs; docking
Abstract :
[en] Di(2-ethylhexyl) phthalate (DEHP) is the most widely plasticizer for polyvinyl chloride (PVC) that is used in plastic tubes, in medical and paramedical devices as well as in food storage packaging. The toxicological profile of DEHP has been evaluated in a number of experimental animal models and has been extensively documented. Its toxicity is in part linked to the activation of the peroxisome proliferator-activated receptor a (PPARa). As a response, an intensive research for a new, biologically inert plasticizer has been initiated. Among the alternative studied, tri(2-ethylhexyl) trimellitate (TEHTM) or trioctyl trimellitate (TOTM) has attracted increasing interest. However, very little information is available on their biological effects. We proceeded to dock TOTM, DEHP and its metabolites in order to identify compounds that are likely to interact with PPARa and PPARg binding sites. The results obtained hint that TOTM is not able to bind to PPARs and should therefore be safer than DEHP.
Research center :
Laboratoire de Pharmacie Clinique, Université de Lille 2
Laboratoire de Chimie Thérapeutique, Université de Lille 2
Disciplines :
Computer science
Pharmacy, pharmacology & toxicology
Author, co-author :
Kambia, Nicolas;  Université de Lille 2 > Faculté des Sciences Pharmaceutiques et Biologiques > Laboratoire de Pharmacie Clinique
Renault, Nicolas;  Université de Lille 2 > Faculté des Sciences Pharmaceutiques et Biologiques > Laboratoire de Chimie Thérapeutique
Dilly, Sébastien ;  Université de Lille 2 > Faculté des Sciences Pharmaceutiques et Biologiques > Laboratoire de Chimie Thérapeutique
Farce, Amaury;  Université de Lille 2 > Faculté des Sciences Pharmaceutiques et Biologiques > Laboratoire de Chimie Thérapeutique
Dine, Thierry;  Université de Lille 2 > Faculté des Sciences Pharmaceutiques et Biologiques > Laboratoire de Pharmacie Clinique
Gressier, Bernard;  Université de Lille 2 > Faculté des Sciences Pharmaceutiques et Biologiques > Laboratoire de Pharmacie Clinique
Luyckx, Michel;  Université de Lille 2 > Faculté des Sciences Pharmaceutiques et Biologiques > Laboratoire de Pharmacie Clinique
Brunet, Claude;  Université de Lille 2 > Faculté des Sciences Pharmaceutiques et Biologiques > Laboratoire de Pharmacie Clinique
Chavatte, Philippe;  Université de Lille 2 > Faculté des Sciences Pharmaceutiques et Biologiques > Laboratoire de Chimie Thérapeutique
Language :
English
Title :
Molecular modeling of phthalates – PPARs interactions
Publication date :
October 2008
Journal title :
Journal of Enzyme Inhibition and Medicinal Chemistry
ISSN :
1475-6366
eISSN :
1475-6374
Publisher :
Taylor & Francis Health Sciences, London, United Kingdom
Volume :
23
Issue :
5
Pages :
611-616
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 09 June 2011

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