In silico panning for a non-competitive peptide inhibitor

Background: Peptide ligands have tremendous therapeutic potential as efficacious drugs. Currently, more than 40 peptides are available in the market for a drug. However, since costly and time-consuming synthesis procedures represent a problem for high-throughput screening, novel procedures to reduce the time and labor involved in screening peptide ligands are required. We propose the novel approach of 'in silico panning' which consists of a two-stage screening, involving affinity selection by docking simulation and evolution of the peptide ligand using genetic algorithms (GAs). In silico panning was successfully applied to the selection of peptide inhibitor for watersoluble quinoprotein glucose dehydrogenase (PQQGDH). Results: The evolution of peptide ligands for a target enzyme was achieved by combining a docking simulation with evolution of the peptide ligand using genetic algorithms (GAs), which mimic Darwinian evolution. Designation of the target area as next to the subs...

• Type: Journal
• Year: 2007
• Where: BMCBI
• Authors: Yukiko Yagi, Kotaro Terada, Takahisa Noma, Kazunori Ikebukuro, Koji Sode
• Keywords: BMCBI 2007, Ligand, Peptide, Peptide Ligands