Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors.
Identifieur interne : 002178 ( PubMed/Curation ); précédent : 002177; suivant : 002179Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors.
Auteurs : Hui Li [États-Unis] ; John Tatlock ; Angelica Linton ; Javier Gonzalez ; Allen Borchardt ; Peter Dragovich ; Tanya Jewell ; Tom Prins ; Ru Zhou ; Julie Blazel ; Hans Parge ; Robert Love ; Michael Hickey ; Chau Doan ; Stephanie Shi ; Rohit Duggal ; Cristina Lewis ; Shella FuhrmanSource :
- Bioorganic & medicinal chemistry letters [ 0960-894X ] ; 2006.
Descripteurs français
- KwdFr :
- Concentration inhibitrice 50, Cristallographie aux rayons X, DNA-directed RNA polymerases (), DNA-directed RNA polymerases (antagonistes et inhibiteurs), DNA-directed RNA polymerases (métabolisme), Hepacivirus (), Hepacivirus (enzymologie), Hydrogène (), Modèles moléculaires, Protéines virales non structurales (), Pyrones (), Pyrones (pharmacologie), Pyrones (synthèse chimique), RNA replicase (), RNA replicase (antagonistes et inhibiteurs), Relation structure-activité, Structure moléculaire.
- MESH :
- antagonistes et inhibiteurs : DNA-directed RNA polymerases, RNA replicase.
- enzymologie : Hepacivirus.
- métabolisme : DNA-directed RNA polymerases.
- pharmacologie : Pyrones.
- synthèse chimique : Pyrones.
- Concentration inhibitrice 50, Cristallographie aux rayons X, DNA-directed RNA polymerases, Hepacivirus, Hydrogène, Modèles moléculaires, Protéines virales non structurales, Pyrones, RNA replicase, Relation structure-activité, Structure moléculaire.
English descriptors
- KwdEn :
- Crystallography, X-Ray, DNA-Directed RNA Polymerases (antagonists & inhibitors), DNA-Directed RNA Polymerases (chemistry), DNA-Directed RNA Polymerases (metabolism), Hepacivirus (drug effects), Hepacivirus (enzymology), Hydrogen (chemistry), Inhibitory Concentration 50, Models, Molecular, Molecular Structure, Pyrones (chemical synthesis), Pyrones (chemistry), Pyrones (pharmacology), RNA Replicase (antagonists & inhibitors), RNA Replicase (chemistry), Structure-Activity Relationship, Viral Nonstructural Proteins (chemistry).
- MESH :
- chemical , antagonists & inhibitors : DNA-Directed RNA Polymerases, RNA Replicase.
- chemical , chemical synthesis : Pyrones.
- chemical , chemistry : DNA-Directed RNA Polymerases, Hydrogen, Pyrones, RNA Replicase, Viral Nonstructural Proteins.
- chemical , metabolism : DNA-Directed RNA Polymerases.
- drug effects : Hepacivirus.
- enzymology : Hepacivirus.
- chemical , pharmacology : Pyrones.
- Crystallography, X-Ray, Inhibitory Concentration 50, Models, Molecular, Molecular Structure, Structure-Activity Relationship.
Abstract
A novel class of non-nucleoside HCV NS5B polymerase inhibitors has been identified from screening. A co-crystal structure revealed an allosteric binding site in the protein that required a unique conformational change to accommodate inhibitor binding. Herein we report the structure-activity relationships (SARs) of this novel class of dihydropyrone-containing compounds that show potent inhibitory activities against the HCV RNA polymerase in biochemical assays.
DOI: 10.1016/j.bmcl.2006.06.065
PubMed: 16824756
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pubmed:16824756Le document en format XML
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<term>DNA-Directed RNA Polymerases (metabolism)</term>
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<term>Cristallographie aux rayons X</term>
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<term>DNA-directed RNA polymerases (antagonistes et inhibiteurs)</term>
<term>DNA-directed RNA polymerases (métabolisme)</term>
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<term>Structure moléculaire</term>
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<term>Pyrones</term>
<term>RNA Replicase</term>
<term>Viral Nonstructural Proteins</term>
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<term>Inhibitory Concentration 50</term>
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<term>Cristallographie aux rayons X</term>
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<term>Hydrogène</term>
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<front><div type="abstract" xml:lang="en">A novel class of non-nucleoside HCV NS5B polymerase inhibitors has been identified from screening. A co-crystal structure revealed an allosteric binding site in the protein that required a unique conformational change to accommodate inhibitor binding. Herein we report the structure-activity relationships (SARs) of this novel class of dihydropyrone-containing compounds that show potent inhibitory activities against the HCV RNA polymerase in biochemical assays.</div>
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<Abstract><AbstractText>A novel class of non-nucleoside HCV NS5B polymerase inhibitors has been identified from screening. A co-crystal structure revealed an allosteric binding site in the protein that required a unique conformational change to accommodate inhibitor binding. Herein we report the structure-activity relationships (SARs) of this novel class of dihydropyrone-containing compounds that show potent inhibitory activities against the HCV RNA polymerase in biochemical assays.</AbstractText>
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