Structure-based virtual screening against SARS-3CLpro to identify novel non-peptidic hits
- Author
- MUKHERJEE, Prasenjit1 ; DESAI, Prashant1 ; ROSS, Larry2 ; LUCILE WHITE, E2 ; AVERY, Mitchell A1 3
[1] Department of Medicinal Chemistry, School of Pharmacy, University of Mississippi, Faser 417, University, MS 38677, United States
[2] Drug Discovery Division, Southern Research Institute, Birmingham, AL 35205, United States
[3] Department of Chemistry and Biochemisitry, University of Mississippi, University, MS 38677, United States - Source
Bioorganic & medicinal chemistry. 2008, Vol 16, Num 7, pp 4138-4149, 12 p ; ref : 48 ref
- ISSN
- 0968-0896
- Scientific domain
- Biochemistry, molecular biology, biophysics; Pharmacology drugs
- Publisher
- Elsevier Science, Oxford
- Publication country
- United Kingdom
- Document type
- Article
- Language
- English
- Author keyword
- Asinex Gold SARS- 3CLpro inhibitor Structure-based virtual screening
- Keyword (fr)
- Antiviral Composé non peptide Criblage virtuel Cysteine endopeptidases Dérivé de la quinazoline Dérivé de la quinolone Dérivé de la quinoléine Dérivé du furane Inhibiteur enzyme Inhibiteur protease Modèle moléculaire Modélisation Relation structure activité Site fixation Urées Virus syndrome respiratoire aigu sévère Coronaviridae Coronavirus Enzyme Hydrolases Nidovirales Peptidases Virus
- Keyword (en)
- Antiviral Non peptide compound Virtual screening Cysteine endopeptidases Quinazoline derivatives Quinolone derivatives Quinoline derivatives Furan derivatives Enzyme inhibitor Protease inhibitor Molecular model Modeling Structure activity relation Binding site Ureas Severe acute respiratory syndrome virus Coronaviridae Coronavirus Enzyme Hydrolases Nidovirales Peptidases Virus
- Keyword (es)
- Antiviral Compuesto no péptido Cribado virtual Cysteine endopeptidases Quinolone derivado Quinolina derivado Furano derivado Inhibidor enzima Inhibidor proteasa Modelo molecular Modelización Relación estructura actividad Sitio fijación Ureas Severe acute respiratory syndrome virus Coronaviridae Coronavirus Enzima Hydrolases Nidovirales Peptidases Virus
- Classification
- Pascal
- 002 Biological and medical sciences / 002B Medical sciences / 002B02 Pharmacology. Drug treatments / 002B02S Antibiotics. Antiinfectious agents. Antiparasitic agents / 002B02S05 Antiviral agents
- Discipline
- Pharmacological treatments
- Origin
- Inist-CNRS
- Database
- PASCAL
- INIST identifier
- 20272670
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.1016/j.bmc.2008.01.011 
https://dx.doi.org/10.1016/j.bmc.2008.01.011
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