Homology-based modelling of targets for rational drug design

Mini Rev Med Chem. 2004 Sep;4(7):793-804.

Abstract

The current status in rational drug design using homology-based models is discussed, with focus on template selection, model building, model verification and strategies for drug design based on model structures. A novel approach for identification of unique binding site features from homology-based models, Protein Alpha Shape Similarity Analysis (PASSA) is described.

Publication types

  • Research Support, Non-U.S. Gov't
  • Review

MeSH terms

  • Binding Sites
  • Drug Design*
  • Ligands
  • Models, Chemical*
  • Models, Molecular
  • Protein Binding
  • Proteins / chemistry*
  • Sequence Homology
  • Structure-Activity Relationship

Substances

  • Ligands
  • Proteins