Induced-fit binding of the macrocyclic noncovalent inhibitor TMC435 to its HCV NS3/NS4A protease target

Angew Chem Int Ed Engl. 2010 Feb 22;49(9):1652-5. doi: 10.1002/anie.200906696.
No abstract available

MeSH terms

  • Binding Sites
  • Carrier Proteins / antagonists & inhibitors*
  • Carrier Proteins / metabolism
  • Crystallography, X-Ray
  • Drug Design
  • Heterocyclic Compounds, 3-Ring / chemistry*
  • Heterocyclic Compounds, 3-Ring / pharmacology
  • Humans
  • Intracellular Signaling Peptides and Proteins
  • Macrocyclic Compounds / chemistry*
  • Protease Inhibitors / chemistry*
  • Protease Inhibitors / pharmacology
  • Protein Binding
  • Simeprevir
  • Sulfonamides / chemistry*
  • Sulfonamides / pharmacology
  • Viral Nonstructural Proteins / antagonists & inhibitors*
  • Viral Nonstructural Proteins / metabolism
  • Viral Proteins / antagonists & inhibitors*
  • Viral Proteins / metabolism

Substances

  • Carrier Proteins
  • Heterocyclic Compounds, 3-Ring
  • Intracellular Signaling Peptides and Proteins
  • Macrocyclic Compounds
  • NS3 protein, hepatitis C virus
  • NS4A cofactor peptide, Hepatitis C virus
  • Protease Inhibitors
  • Sulfonamides
  • Viral Nonstructural Proteins
  • Viral Proteins
  • Simeprevir