Evaluation of homology modeling of the severe acute respiratory syndrome (SARS) coronavirus main protease for structure based drug design

Chem Pharm Bull (Tokyo). 2004 May;52(5):643-5. doi: 10.1248/cpb.52.643.

Abstract

To accelerate the development of drugs against severe acute respiratory syndrome (SARS), we constructed a homology model of the SARS coronavirus main protease using our modeling software, FAMS Ligand&Complex, and released it before the X-ray structure was solved. The X-ray structure showed our model as accurately predicted and useful for structure based drug design.

MeSH terms

  • Antiviral Agents / chemical synthesis*
  • Coronavirus 3C Proteases
  • Cysteine Endopeptidases
  • Drug Design*
  • Drug Evaluation, Preclinical / methods
  • Endopeptidases / chemistry*
  • Models, Molecular*
  • Severe acute respiratory syndrome-related coronavirus / enzymology*
  • Structural Homology, Protein
  • Structure-Activity Relationship
  • Viral Proteins / chemistry*

Substances

  • Antiviral Agents
  • Viral Proteins
  • Endopeptidases
  • 3C-like protease, SARS coronavirus
  • Cysteine Endopeptidases
  • Coronavirus 3C Proteases