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Analogs design, synthesis and biological evaluation of peptidomimetics with potential anti-HCV activity
- Source :
- Bioorganicmedicinal chemistry. 21(10)
- Publication Year :
- 2012
-
Abstract
- Two series of peptidomimetics were designed, prepared and evaluated for their anti-HCV activity. One series possesses a C-terminal carboxylate functionality. In the other series, the electrophilic vinyl sulfonate moiety was introduced as a novel class of HCV NS3/4A protease inhibitors. In vitro based studies were then performed to evaluate the efficacies of the inhibitors using Human hepatoma cells, with the vinyl sulfonate ester (10) in particular, found to have highly potent anti-HCV activity with an EC(50) = 0.296 μM. Finally, molecular modeling studies were performed through docking of the synthesized compounds in the HCV NS3/4A protease active site to assess their binding modes with the enzyme and gain further insight into their structure-activity relationships.
- Subjects :
- Models, Molecular
Serine Proteinase Inhibitors
Molecular model
Peptidomimetic
Stereochemistry
medicine.medical_treatment
Clinical Biochemistry
Pharmaceutical Science
Hepacivirus
Biochemistry
Antiviral Agents
Structure-Activity Relationship
Drug Discovery
medicine
Moiety
Humans
Molecular Biology
chemistry.chemical_classification
Protease
biology
Organic Chemistry
virus diseases
Active site
digestive system diseases
In vitro
Enzyme
chemistry
Docking (molecular)
Drug Design
biology.protein
Molecular Medicine
Peptidomimetics
Subjects
Details
- ISSN :
- 14643391
- Volume :
- 21
- Issue :
- 10
- Database :
- OpenAIRE
- Journal :
- Bioorganicmedicinal chemistry
- Accession number :
- edsair.doi.dedup.....2df025356c514cffa46f23a56196c172