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In Silico Docking of HNF-1a Receptor Ligands

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 2.5...

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Autores principales: Sridhar, Gumpeny Ramachandra, Nageswara Rao, Padmanabhuni Venkata, Kaladhar, Dowluru SVGK, Devi, Tatavarthi Uma, Kumar, Sali Veeresh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3535823/
https://www.ncbi.nlm.nih.gov/pubmed/23316227
http://dx.doi.org/10.1155/2012/705435
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author Sridhar, Gumpeny Ramachandra
Nageswara Rao, Padmanabhuni Venkata
Kaladhar, Dowluru SVGK
Devi, Tatavarthi Uma
Kumar, Sali Veeresh
author_facet Sridhar, Gumpeny Ramachandra
Nageswara Rao, Padmanabhuni Venkata
Kaladhar, Dowluru SVGK
Devi, Tatavarthi Uma
Kumar, Sali Veeresh
author_sort Sridhar, Gumpeny Ramachandra
collection PubMed
description 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 1 × 10(−10) 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
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spelling pubmed-35358232013-01-11 In Silico Docking of HNF-1a Receptor Ligands Sridhar, Gumpeny Ramachandra Nageswara Rao, Padmanabhuni Venkata Kaladhar, Dowluru SVGK Devi, Tatavarthi Uma Kumar, Sali Veeresh Adv Bioinformatics Research Article 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 1 × 10(−10) 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 Hindawi Publishing Corporation 2012 2012-12-19 /pmc/articles/PMC3535823/ /pubmed/23316227 http://dx.doi.org/10.1155/2012/705435 Text en Copyright © 2012 Gumpeny Ramachandra Sridhar et al. https://creativecommons.org/licenses/by/3.0/ 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.
spellingShingle Research Article
Sridhar, Gumpeny Ramachandra
Nageswara Rao, Padmanabhuni Venkata
Kaladhar, Dowluru SVGK
Devi, Tatavarthi Uma
Kumar, Sali Veeresh
In Silico Docking of HNF-1a Receptor Ligands
title In Silico Docking of HNF-1a Receptor Ligands
title_full In Silico Docking of HNF-1a Receptor Ligands
title_fullStr In Silico Docking of HNF-1a Receptor Ligands
title_full_unstemmed In Silico Docking of HNF-1a Receptor Ligands
title_short In Silico Docking of HNF-1a Receptor Ligands
title_sort in silico docking of hnf-1a receptor ligands
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3535823/
https://www.ncbi.nlm.nih.gov/pubmed/23316227
http://dx.doi.org/10.1155/2012/705435
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