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Title

Molecular docking of Glyceroneogenesis pathway intermediates with Peroxisome Proliferator-Activated Receptor-Alpha (PPAR-α)

 

Authors

Parasuraman Aiya Subramani1, Kalpana Panati2 & Venkata Ramireddy Narala1*

 

Affiliation

1Department of Zoology, Yogi Vemana University, Kadapa - 516 003, Andhra Pradesh, India; 2Department of Biotechnology, Government City College, Hyderabad, India

 

Email

nvramireddy@gmail.com; *Corresponding author

 

Article Type

Hypothesis

 

Date

Received June 07, 2013; Accepted June 08, 2013; Published July 12, 2013

 

Abstract

Peroxisome proliferator-activated receptor alpha (PPAR-α) belongs to the nuclear receptor superfamily of proteins. It is one of the principle regulators of metabolism and lipid homeostasis whose malfunction leads to complications including obesity and type 2 diabetes. In the adipose tissue, glyceroneogenesis is a unique pathway through which pyruvate is converted into glycerol-3-phosphate (G3P) in a multistep process. Previous findings demonstrated that glyceroneogenesis regulates triacylglycerol synthesis and adipogenesis. This led us to hypothesize that one of the pathway intermediate is physiologically relevant PPAR-α ligand. In the present study using in silico docking, we proved that glycerate, dihydroxy acetone phosphate, glyceraldehyde-3-phosphate, and G3P are key glyceroneogenesis pathway intermediates which bind to PPAR-α. They bind PPAR-α with comparable binding energy and docking score to that of (2s)-2-ethoxy-3-[4-(2-{4-[(methylsulfonyl)oxy]phenyl}ethoxy)phenyl]propanoic acid(AZ-2), a synthetic high affinity ligand of PPAR-α. These intermediates could be studied further as potential physiologically relevant activators of PPAR-α in vitro and in vivo.

 

Keywords

PPAR-α, in silico docking, endogenous ligands, glyceroneogenesis.

 

Citation

Subramani et al.   Bioinformation 9(12): 629-632 (2013)

 

Edited by

P Kangueane

 

ISSN

0973-2063

 

Publisher

Biomedical Informatics

 

License

This is an Open Access article which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly credited. This is distributed under the terms of the Creative Commons Attribution License.