Abstract
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
Highlights
Hepatic nuclear factor 1 alpha (HNF-1a) is a liver enriched transcription factor that was first discovered in studies aimed at identifying proteins that were responsible for tissuespecific regulation of gene expression in the human liver [1]
HNF-1a is a transcription factor that belongs to a family of proteins having “DNA binding domains that recognize a short DNA sequence and of an activation or repression domain that influences gene transcription” [5]
Recent studies have identified as yet unknown proteins such as the high mobility group protein-B1 (HMGB1) that can interact with HNF-1a [9], forming another layer of regulation in the HNF transcriptional network
Summary
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. 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. The docking distances (in angstrom units: 1 angstrom unit (A ) = 0.1 nanometer or 1 × 10−10 metres) with ligands in decreasing order are as follows: resveratrol (3.8 A ), aspirin (4.5 A ), stearic acid (4.9 A ), retinol (6.0 A ), nitrazepam (6.8 A ), ibuprofen (7.9 A ), azulfidine (9.0 A ), simvastatin (9.0 A ), elaidic acid (10.1 A ), and oleic acid (11.6 A ). HNF-1a domain interacted most closely with resveratrol and aspirin
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