Design, synthesis, and docking studies of telmisartan analogs for the treatment of metabolic syndrome

Medicinal Chemistry Research
2009.0

Abstract

In our early studies, telmisartan was found to be a moderate peroxisome proliferator-activated receptor (PPAR) gamma activator in the human PPARc-GAL-4 cell-based transactivation assay. Thus, novel analogs of telmisartan were designed, synthesized, and evaluated in the AT1 receptor binding assay and PPAR gamma transactivation assay. A total of 11 compounds were designed based on docking in both AT1 receptor model and PPAR gamma active pocket and synthesized. Introduction of an additional acidic group at the para position of the distal phenyl ring of telmisartan decreased affinity towards AT1 receptor and PPARc activity. In the present study, the molecule with best results was MT003 with weak PPARc activity (8% of maximum PPARc activation achieved by full agonist rosiglitazone at 10 lM) and good binding affinity (Ki = 650 ± 139 nM) towards the AT1 receptor. Docking of MT003 into AT1 receptor model and PPAR gamma showed very similar interactions with the receptors as AT1 antagonist telmisartan and PPAR gamma agonist rosiglitazone.

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