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Advances in Bioinformatics
Volume 2012, Article ID 705435, 5 pages
Research Article

In Silico Docking of HNF-1a Receptor Ligands

1Endocrine and Diabetes Centre, 15-12-15 Krishnanagar, Visakhapatnam 530 002, India
2Department of Computer Science and Engineering, GITAM University, Visakhapatnam 530045, India
3Department of Biochemistry and Bioinformatics, GITAM University, Visakhapatnam 530045, India
4Department of Computer Science, GITAM University, Visakhapatnam 530045, India

Received 21 July 2012; Revised 6 November 2012; Accepted 28 November 2012

Academic Editor: Ramana Davuluri

Copyright © 2012 Gumpeny Ramachandra Sridhar et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Background. HNF-1a is a transcription factor that regulates glucose metabolism by expression in various tissues. Aim. To dock potential ligands of HNF-1a using docking software in silico. Methods. We performed in silico studies using HNF-1a protein 2GYP·pdb and the following softwares: ISIS/Draw 2.5SP4, ARGUSLAB 4.0.1, and HEX5.1. Observations. The docking distances (in angstrom units: 1 angstrom unit (Å) = 0.1 nanometer or  metres) with ligands in decreasing order are as follows: resveratrol (3.8 Å), aspirin (4.5 Å), stearic acid (4.9 Å), retinol (6.0 Å), nitrazepam (6.8 Å), ibuprofen (7.9 Å), azulfidine (9.0 Å), simvastatin (9.0 Å), elaidic acid (10.1 Å), and oleic acid (11.6 Å). Conclusion. HNF-1a domain interacted most closely with resveratrol and aspirin