Indol-1-yl acetic acids as peroxisome proliferator-activated receptor agonists: Design, synthesis, structural biology, and molecular docking studies

Neeraj Mahindroo; Chiung Chiu Wang; Chun Chen Liao; Chien Fu Huang; I. Lin Lu; Tzu Wen Lien; Yi Huei Peng; Wei Jan Huang; Ying Ting Lin; Ming Chen Hsu; Chia Hui Lin; Chia Hua Tsai; John T A Hsu; Xin Chen; Ping Chiang Lyu; Yu Sheng Chao; Su Ying Wu; Hsing Pang Hsieh

doi:10.1021/jm0510373

Indol-1-yl acetic acids as peroxisome proliferator-activated receptor agonists: Design, synthesis, structural biology, and molecular docking studies

Neeraj Mahindroo, Chiung Chiu Wang, Chun Chen Liao, Chien Fu Huang, I. Lin Lu, Tzu Wen Lien, Yi Huei Peng, Wei Jan Huang, Ying Ting Lin, Ming Chen Hsu, Chia Hui Lin, Chia Hua Tsai, John T A Hsu, Xin Chen, Ping Chiang Lyu, Yu Sheng Chao, Su Ying Wu, Hsing Pang Hsieh

Research output: Contribution to journal › Article › peer-review

71 Citations (Scopus)

Abstract

A series of novel indole-based PPAR agonists is described leading to discovery of 10k, a highly potent PPAR pan-agonist. The structural biology and molecular docking studies revealed that the distances between the acidic group and the linker, when a ligand was complexed with PPARγ protein, were important for the potent activity. The hydrophobic tail part of 10k makes intensive hydrophobic interaction with the PPARγ protein resulting in potent activity.

Original language	English
Pages (from-to)	1212-1216
Number of pages	5
Journal	Journal of Medicinal Chemistry
Volume	49
Issue number	3
DOIs	https://doi.org/10.1021/jm0510373
Publication status	Published - Feb 9 2006
Externally published	Yes

ASJC Scopus subject areas

Organic Chemistry

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Mahindroo, N., Wang, C. C., Liao, C. C., Huang, C. F., Lu, I. L., Lien, T. W., Peng, Y. H., Huang, W. J., Lin, Y. T., Hsu, M. C., Lin, C. H., Tsai, C. H., Hsu, J. T. A., Chen, X., Lyu, P. C., Chao, Y. S., Wu, S. Y., & Hsieh, H. P. (2006). Indol-1-yl acetic acids as peroxisome proliferator-activated receptor agonists: Design, synthesis, structural biology, and molecular docking studies. Journal of Medicinal Chemistry, 49(3), 1212-1216. https://doi.org/10.1021/jm0510373

Mahindroo, N, Wang, CC, Liao, CC, Huang, CF, Lu, IL, Lien, TW, Peng, YH, Huang, WJ, Lin, YT, Hsu, MC, Lin, CH, Tsai, CH, Hsu, JTA, Chen, X, Lyu, PC, Chao, YS, Wu, SY & Hsieh, HP 2006, 'Indol-1-yl acetic acids as peroxisome proliferator-activated receptor agonists: Design, synthesis, structural biology, and molecular docking studies', Journal of Medicinal Chemistry, vol. 49, no. 3, pp. 1212-1216. https://doi.org/10.1021/jm0510373

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abstract = "A series of novel indole-based PPAR agonists is described leading to discovery of 10k, a highly potent PPAR pan-agonist. The structural biology and molecular docking studies revealed that the distances between the acidic group and the linker, when a ligand was complexed with PPARγ protein, were important for the potent activity. The hydrophobic tail part of 10k makes intensive hydrophobic interaction with the PPARγ protein resulting in potent activity.",

author = "Neeraj Mahindroo and Wang, {Chiung Chiu} and Liao, {Chun Chen} and Huang, {Chien Fu} and Lu, {I. Lin} and Lien, {Tzu Wen} and Peng, {Yi Huei} and Huang, {Wei Jan} and Lin, {Ying Ting} and Hsu, {Ming Chen} and Lin, {Chia Hui} and Tsai, {Chia Hua} and Hsu, {John T A} and Xin Chen and Lyu, {Ping Chiang} and Chao, {Yu Sheng} and Wu, {Su Ying} and Hsieh, {Hsing Pang}",

year = "2006",

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doi = "10.1021/jm0510373",

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AU - Mahindroo, Neeraj

AU - Wang, Chiung Chiu

AU - Liao, Chun Chen

AU - Huang, Chien Fu

AU - Lu, I. Lin

AU - Lien, Tzu Wen

AU - Peng, Yi Huei

AU - Huang, Wei Jan

AU - Lin, Ying Ting

AU - Hsu, Ming Chen

AU - Lin, Chia Hui

AU - Tsai, Chia Hua

AU - Hsu, John T A

AU - Chen, Xin

AU - Lyu, Ping Chiang

AU - Chao, Yu Sheng

AU - Wu, Su Ying

AU - Hsieh, Hsing Pang

PY - 2006/2/9

Y1 - 2006/2/9

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Indol-1-yl acetic acids as peroxisome proliferator-activated receptor agonists: Design, synthesis, structural biology, and molecular docking studies

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