title: Evaluation of homology modeling of the severe acute respiratory syndrome (SARS) coronavirus main protease for structure based drug design.
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.
authors.affiliation: School of Pharmaceutical Sciences, Kitasato University, Tokyo, Japan. shitakam@pharm.kitasato-u.ac.jp
authors.forename: Mayuko
authors.initials: M
authors.lastname: Takeda-Shitaka
authors.forename: Hiroyuki
authors.initials: H
authors.lastname: Nojima
authors.forename: Daisuke
authors.initials: D
authors.lastname: Takaya
authors.forename: Kazuhiko
authors.initials: K
authors.lastname: Kanou
authors.forename: Mitsuo
authors.initials: M
authors.lastname: Iwadate
authors.forename: Hideaki
authors.initials: H
authors.lastname: Umeyama
mesh_terms: 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*
chemical_list: D000998:Antiviral Agents; D014764:Viral Proteins; D010450:Endopeptidases; C000706207:3C-like protease, SARS coronavirus; D003546:Cysteine Endopeptidases; D000086782:Coronavirus 3C Proteases