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Research Article

Molecular modelling of phthalates – PPARs interactions

, , , , , , , & show all
Pages 611-616 | Received 08 Nov 2007, Accepted 07 May 2008, Published online: 20 Oct 2008
 

Abstract

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 α (PPARα). 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 PPARα and PPARγ binding sites. The results obtained hint that TOTM is not able to bind to PPARs and should therefore be safer than DEHP.

Declaration of interest: The authors report no conflicts of interest. The authors alone are responsible for the content and writing of the paper.

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