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Reverse Yeast Two-hybrid System to Identify Mammalian Nuclear Receptor Residues that Interact with Ligands and/or Antagonists
Published on: November 15, 2013
Molecular recognition of agonist and antagonist for peroxisome proliferator-activated receptor-α studied by molecular
Mengyuan Liu1, Lushan Wang2, Xian Zhao3
1State Key Laboratory of Crystal Materials, Shandong University, 27 Shanda Nanlu, Jinan 250100, China. lmyiop@sina.com.
Abstract:
Peroxisome proliferator activated receptor-α (PPAR-α) is a ligand-activated transcription factor which plays important roles in lipid and glucose metabolism. The aim of this work is to find residues which selectively recognize PPAR-α agonists and antagonists. To achieve this aim, PPAR-α/13M and PPAR-α/471 complexes were subjected to perform molecular dynamics simulations. This research suggests that several key residues only participate in agonist recognition, while some other key residues only contribute to antagonist recognition. It is hoped that such work is useful for medicinal chemists to design novel PPAR-α agonists and antagonists.
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