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A designed P1 cysteine mimetic for covalent and non-covalent inhibitors of HCV NS3 protease
- Source :
- Bioorganic & Medicinal Chemistry Letters. 12:701-704
- Publication Year :
- 2002
- Publisher :
- Elsevier BV, 2002.
-
Abstract
- The difluoromethyl group was designed by computational chemistry methods as a mimetic of the canonical P1 cysteine thiol for inhibitors of the hepatitis C virus NS3 protease. This modification led to the development of competitive, non-covalent inhibitor 4 (Ki 30 nM) and reversible covalent inhibitors (6, Ki 0.5 nM; and 8 Ki∗ 10 pM).
- Subjects :
- Models, Molecular
Stereochemistry
medicine.medical_treatment
Clinical Biochemistry
Pharmaceutical Science
Peptide
Hepacivirus
Viral Nonstructural Proteins
Biochemistry
Structure-Activity Relationship
Drug Discovery
medicine
Humans
Cysteine
Molecular Biology
chemistry.chemical_classification
NS3
Protease
biology
Molecular Mimicry
Organic Chemistry
Protease inhibitor (biology)
chemistry
Enzyme inhibitor
Covalent bond
Drug Design
Thiol
biology.protein
Molecular Medicine
Oligopeptides
medicine.drug
Subjects
Details
- ISSN :
- 0960894X
- Volume :
- 12
- Database :
- OpenAIRE
- Journal :
- Bioorganic & Medicinal Chemistry Letters
- Accession number :
- edsair.doi.dedup.....071e05ae2261412544f50c883839c93e