Binding mode prediction of strand transfer HIV-1 integrase inhibitors using Tn5 transposase as a plausible surrogate model for HIV-1 integrase

J Med Chem. 2006 Jun 29;49(13):3994-7. doi: 10.1021/jm060323r.

Abstract

The crystal structure of Tn5 transposase-DNA complex was used in docking experiments to predict binding modes of HIV-1 integrase strand transfer inhibitors (INSTIs). In fact, the identification of HIV-1 integrase inhibitors from an in vitro screen using Tn5 transposase as the target has been recently reported. Our results suggest the utility of this protein as a useful surrogate model for IN and also for in silico screening, in the search for new potential INSTIs.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • HIV Integrase / chemistry*
  • HIV Integrase Inhibitors / chemistry*
  • Models, Molecular*
  • Protein Binding
  • Recombination, Genetic / drug effects
  • Transposases / chemistry*

Substances

  • HIV Integrase Inhibitors
  • Tn5 transposase
  • HIV Integrase
  • Transposases