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  • 标题:<i>In Silico</i> Docking of HNF-1a Receptor Ligands
  • 本地全文:下载
  • 作者:Gumpeny Ramachandra Sridhar ; Padmanabhuni Venkata Nageswara Rao ; Dowluru SVGK Kaladhar
  • 期刊名称:Advances in Bioinformatics
  • 印刷版ISSN:1687-8027
  • 电子版ISSN:1687-8035
  • 出版年度:2012
  • 卷号:2012
  • DOI:10.1155/2012/705435
  • 出版社:Hindawi Publishing Corporation
  • 摘要: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&#x000B7;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 (&#xc5;)&#x2009;=&#x2009;0.1 nanometer or &#x2009;metres) with ligands in decreasing order are as follows: resveratrol (3.8&#x2009;&#xc5;), aspirin (4.5&#x2009;&#xc5;), stearic acid (4.9&#x2009;&#xc5;), retinol (6.0&#x2009;&#xc5;), nitrazepam (6.8&#x2009;&#xc5;), ibuprofen (7.9&#x2009;&#xc5;), azulfidine (9.0&#x2009;&#xc5;), simvastatin (9.0&#x2009;&#xc5;), elaidic acid (10.1&#x2009;&#xc5;), and oleic acid (11.6&#x2009;&#xc5;). Conclusion. HNF-1a domain interacted most closely with resveratrol and aspirin
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