PMID- 18821250
OWN - NLM
STAT- MEDLINE
DCOM- 20081231
LR  - 20190516
IS  - 1475-6374 (Electronic)
IS  - 1475-6366 (Linking)
VI  - 23
IP  - 5
DP  - 2008 Oct
TI  - Molecular modelling of phthalates - PPARs interactions.
PG  - 611-6
LID - 10.1080/14756360802205059 [doi]
AB  - 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 alpha (PPAR(alpha)). 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 PPAR(alpha) and PPAR(gamma) binding sites. The results obtained 
      hint that TOTM is not able to bind to PPARs and should therefore be safer than 
      DEHP.
FAU - Kambia, Nicolas
AU  - Kambia N
AD  - Laboratoire de Pharmacie Clinique, Faculte des Sciences Pharmaceutiques et 
      Biologiques, Lille Cedex, France.
FAU - Renault, Nicolas
AU  - Renault N
FAU - Dilly, Sebastien
AU  - Dilly S
FAU - Farce, Amaury
AU  - Farce A
FAU - Dine, Thierry
AU  - Dine T
FAU - Gressier, Bernard
AU  - Gressier B
FAU - Luyckx, Michel
AU  - Luyckx M
FAU - Brunet, Claude
AU  - Brunet C
FAU - Chavatte, Philippe
AU  - Chavatte P
LA  - eng
PT  - Journal Article
PL  - England
TA  - J Enzyme Inhib Med Chem
JT  - Journal of enzyme inhibition and medicinal chemistry
JID - 101150203
RN  - 0 (Benzoates)
RN  - 0 (PPAR alpha)
RN  - 0 (PPAR gamma)
RN  - 0 (Peroxisome Proliferator-Activated Receptors)
RN  - 0 (Phthalic Acids)
RN  - 0 (Plasticizers)
RN  - 3319-31-1 (tri-(2-ethylhexyl)trimellitate)
RN  - 9GPJ04URH3 (trioctyl trimellitate)
SB  - IM
MH  - Benzoates/chemistry/toxicity
MH  - Humans
MH  - *Models, Molecular
MH  - PPAR alpha/metabolism
MH  - PPAR gamma/metabolism
MH  - Peroxisome Proliferator-Activated Receptors/*metabolism
MH  - Phthalic Acids/*chemistry/toxicity
MH  - Plasticizers/chemistry/toxicity
MH  - Protein Binding
EDAT- 2008/09/30 09:00
MHDA- 2009/01/01 09:00
CRDT- 2008/09/30 09:00
PHST- 2008/09/30 09:00 [pubmed]
PHST- 2009/01/01 09:00 [medline]
PHST- 2008/09/30 09:00 [entrez]
AID - 903082319 [pii]
AID - 10.1080/14756360802205059 [doi]
PST - ppublish
SO  - J Enzyme Inhib Med Chem. 2008 Oct;23(5):611-6. doi: 10.1080/14756360802205059.