title: In Silico Docking of HNF-1a Receptor Ligands.
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.
authors: Endocrine and Diabetes Centre, 15-12-15 Krishnanagar, Visakhapatnam 530 002, India.
authors: Gumpeny Ramachandra
authors: GR
authors: Sridhar
authors: Padmanabhuni Venkata
authors: PV
authors: Nageswara Rao
authors: Dowluru Svgk
authors: DS
authors: Kaladhar
authors: Tatavarthi Uma
authors: TU
authors: Devi
authors: Sali Veeresh
authors: SV
authors: Kumar