Literature DB >> 16451087

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

Neeraj Mahindroo1, 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.   

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 PPARgamma protein, were important for the potent activity. The hydrophobic tail part of 10k makes intensive hydrophobic interaction with the PPARgamma protein resulting in potent activity.

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Year:  2006        PMID: 16451087     DOI: 10.1021/jm0510373

Source DB:  PubMed          Journal:  J Med Chem        ISSN: 0022-2623            Impact factor:   7.446


  12 in total

1.  Ligand-escape pathways from the ligand-binding domain of PPARgamma receptor as probed by molecular dynamics simulations.

Authors:  D Genest; N Garnier; A Arrault; C Marot; L Morin-Allory; M Genest
Journal:  Eur Biophys J       Date:  2007-10-11       Impact factor: 1.733

2.  Pharmacophore-driven identification of PPARγ agonists from natural sources.

Authors:  Rasmus K Petersen; Kathrine B Christensen; Andreana N Assimopoulou; Xavier Fretté; Vassilios P Papageorgiou; Karsten Kristiansen; Irene Kouskoumvekaki
Journal:  J Comput Aided Mol Des       Date:  2010-11-11       Impact factor: 3.686

3.  Quantification of phenolics in Syzygium cumini seed and their modulatory role on tertiary butyl-hydrogen peroxide-induced oxidative stress in H9c2 cell lines and key enzymes in cardioprotection.

Authors:  H P Syama; A D Arya; R Dhanya; P Nisha; A Sundaresan; E Jacob; P Jayamurthy
Journal:  J Food Sci Technol       Date:  2017-05-24       Impact factor: 2.701

4.  Pharmacophore modeling and parallel screening for PPAR ligands.

Authors:  Patrick Markt; Daniela Schuster; Johannes Kirchmair; Christian Laggner; Thierry Langer
Journal:  J Comput Aided Mol Des       Date:  2007-10-25       Impact factor: 3.686

5.  Dietary α-eleostearic acid ameliorates experimental inflammatory bowel disease in mice by activating peroxisome proliferator-activated receptor-γ.

Authors:  Stephanie N Lewis; Lera Brannan; Amir J Guri; Pinyi Lu; Raquel Hontecillas; Josep Bassaganya-Riera; David R Bevan
Journal:  PLoS One       Date:  2011-08-31       Impact factor: 3.240

6.  A Role for the PPARgamma in Cancer Therapy.

Authors:  Moray J Campbell; Carsten Carlberg; H Phillip Koeffler
Journal:  PPAR Res       Date:  2008       Impact factor: 4.964

7.  Molecular modelling study of the PPARγ receptor in relation to the mode of action/adverse outcome pathway framework for liver steatosis.

Authors:  Ivanka Tsakovska; Merilin Al Sharif; Petko Alov; Antonia Diukendjieva; Elena Fioravanzo; Mark T D Cronin; Ilza Pajeva
Journal:  Int J Mol Sci       Date:  2014-05-05       Impact factor: 5.923

8.  Exploring Ligand Stability in Protein Crystal Structures Using Binding Pose Metadynamics.

Authors:  Lucia Fusani; David S Palmer; Don O Somers; Ian D Wall
Journal:  J Chem Inf Model       Date:  2020-01-22       Impact factor: 4.956

9.  Virtual Screening as a Technique for PPAR Modulator Discovery.

Authors:  Stephanie N Lewis; Josep Bassaganya-Riera; David R Bevan
Journal:  PPAR Res       Date:  2009-09-02       Impact factor: 4.964

10.  In Vitro Evaluation of the Antioxidant, 3,5-Dihydroxy-4-ethyl-trans-stilbene (DETS) Isolated from Bacillus cereus as a Potent Candidate against Malignant Melanoma.

Authors:  Lekshmi R Nath; S N Kumar; Arya A Das; Bala Nambisan; A Shabna; Chellapan Mohandas; Ruby John Anto
Journal:  Front Microbiol       Date:  2016-04-14       Impact factor: 5.640

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