Carbohydrates and drug discovery--the role of computer simulation

Trends Biotechnol. 1994 Jan;12(1):9-14. doi: 10.1016/0167-7799(94)90005-1.

Abstract

Recent advances in the molecular modelling of carbohydrates have brought this technique to a level comparable with that of protein and nucleic acid simulations. After a brief introduction to the techniques used in the computer simulation of carbohydrates and carbohydrate interactions, an overview of applications in the field of carbohydrate-related drug discovery is presented.

MeSH terms

  • Antithrombin III / chemistry
  • Binding Sites
  • Biotechnology
  • Carbohydrate Conformation
  • Carbohydrate Sequence
  • Carbohydrates / chemistry*
  • Computer Simulation*
  • Drug Design
  • Glycoproteins / chemistry
  • Heparin / chemistry
  • Models, Molecular*
  • Molecular Sequence Data
  • Oligosaccharides / chemistry
  • Thermodynamics

Substances

  • Carbohydrates
  • Glycoproteins
  • ORG 31550
  • Oligosaccharides
  • Antithrombin III
  • Heparin