Structure-based de novo design, synthesis, and biological evaluation of the indole-based PPARgamma ligands (I).

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Dong X, Zhang Z, Wen R, Shen J, Shen X, Jiang H

Structure-based de novo design, synthesis, and biological evaluation of the indole-based PPARgamma ligands (I).

Bioorg Med Chem Lett. 2006 Nov 15;16(22):5913-6. Epub 2006 Sep 28.

PubMed ID

17010604 [ View in PubMed

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Abstract

MCSS and LeapFrog, two de novo drug design programs, were used for the novel indole-based PPARgamma ligands' study. The designed compounds were synthesized and tested for the PPARgamma protein binding activities in vitro. Out of the compounds that were synthesized, two molecules (compounds 14d and 7d) possessed potent PPARgamma protein binding activity close to rosiglitazone in vitro.

DrugBank Data that Cites this Article

Binding Properties

Drug	Target	Property	Measurement	pH	Temperature (°C)
Rosiglitazone	Peroxisome proliferator-activated receptor gamma	Kd (nM)	4980	N/A	N/A	Details