Evaluation of Homology Modeling of the Severe Acute Respiratory Syndrome (SARS) Coronavirus Main Protease for Structure Based Drug Design

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 m...

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Veröffentlicht in:Chemical & Pharmaceutical Bulletin 2004, Vol.52(5), pp.643-645
Hauptverfasser: Takeda-Shitaka, Mayuko, Nojima, Hiroyuki, Takaya, Daisuke, Kanou, Kazuhiko, Iwadate, Mitsuo, Umeyama, Hideaki
Format: Artikel
Sprache:eng
Schlagworte:
Antiviral Agents - chemical synthesis
Cysteine Endopeptidases
Drug Design
Drug Evaluation, Preclinical - methods
Endopeptidases - chemistry
homology modeling
Models, Molecular
normal mode analysis
SARS coronavirus
SARS Virus - enzymology
severe acute respiratory syndrome (SARS)
Structural Homology, Protein
structure based drug design
Structure-Activity Relationship
Viral Proteins - chemistry
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Zusammenfassung: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.
ISSN:0009-2363
1347-5223
DOI:10.1248/cpb.52.643