Fragment-based molecular design of new competitive dengue Den2 Ns2b/Ns3 inhibitors from the components of fingerroot (Boesenbergia rotunda)

In Silico Biol. 2011;11(1-2):29-37. doi: 10.3233/ISB-2012-0442.
No abstract available

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Catalytic Domain
  • Chalcones / chemistry
  • Dengue / drug therapy*
  • Dengue Virus / genetics*
  • Drug Design
  • Hydrogen Bonding
  • Hydrophobic and Hydrophilic Interactions
  • Ligands
  • Models, Molecular
  • Serine Endopeptidases / drug effects*
  • Serine Proteinase Inhibitors / chemistry*
  • Viral Nonstructural Proteins / antagonists & inhibitors*
  • Zingiberaceae / chemistry*

Substances

  • Chalcones
  • Ligands
  • Serine Proteinase Inhibitors
  • Viral Nonstructural Proteins
  • panduratin A
  • NS3 protease, dengue virus
  • Serine Endopeptidases