Evaluation of homology modeling of the severe acute respiratory syndrome (SARS) coronavirus main protease for structure based drug design.
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.
Takeda-Shitaka
Mayuko
M
School of Pharmaceutical Sciences, Kitasato University, Tokyo, Japan. shitakam@pharm.kitasato-u.ac.jp
Nojima
Hiroyuki
H
Takaya
Daisuke
D
Kanou
Kazuhiko
K
Iwadate
Mitsuo
M
Umeyama
Hideaki
H
D000998:Antiviral Agents / Q000138:chemical synthesis*; D000086782:Coronavirus 3C Proteases; D003546:Cysteine Endopeptidases; D015195:Drug Design; D004353:Drug Evaluation, Preclinical / Q000379:methods; D010450:Endopeptidases / Q000737:chemistry*; D008958:Models, Molecular; D045473:Severe acute respiratory syndrome-related coronavirus / Q000201:enzymology*; D040681:Structural Homology, Protein; D013329:Structure-Activity Relationship; D014764:Viral Proteins / Q000737:chemistry*
D000998:Antiviral Agents; D014764:Viral Proteins; D010450:Endopeptidases; C000706207:3C-like protease, SARS coronavirus; D003546:Cysteine Endopeptidases; D000086782:Coronavirus 3C Proteases