Triketoacid inhibitors of HIV-integrase: a new chemotype useful for probing the integrase pharmacophore

Bioorg Med Chem Lett. 2006 Jun 1;16(11):2920-4. doi: 10.1016/j.bmcl.2006.03.010. Epub 2006 Mar 20.

Abstract

Integrase is one of three enzymes expressed by HIV and represents a validated target for therapy. This study reports on the discovery of a new triketoacid-based chemotype that selectively inhibits the strand transfer reaction of HIV-integrase. SAR studies showed that the template binds to integrase in a manner similar to the diketoacid-based inhibitors. Moreover, comparison of the new chemotype to two different diketoacid templates led us to propose two aryl-binding domains in the inhibitor binding site. This information was used to design a new diketoacid template with improved activity against the enzyme.

MeSH terms

  • HIV Integrase / chemistry*
  • HIV Integrase / metabolism*
  • HIV Integrase Inhibitors / chemical synthesis*
  • HIV Integrase Inhibitors / chemistry
  • HIV Integrase Inhibitors / pharmacology*
  • HIV-1 / drug effects
  • HIV-1 / enzymology*
  • Keto Acids / chemical synthesis
  • Keto Acids / chemistry*
  • Keto Acids / pharmacology*
  • Molecular Structure
  • Structure-Activity Relationship

Substances

  • HIV Integrase Inhibitors
  • Keto Acids
  • HIV Integrase