Design and synthesis of lipid-coupled inositol 1,2,3,4,5,6-hexakisphosphate derivatives exhibiting high-affinity binding for the HIV-1 MA domain

Org Biomol Chem. 2014 Jul 21;12(27):5006-22. doi: 10.1039/c4ob00350k.

Abstract

The precursor of Gag protein (Pr55(Gag)) of human immunodeficiency virus, the principal structural component required for virus assembly, is known to bind d-myo-phosphatidylinositol 4,5-bisphosphate (PIP2). The N-terminus of Pr55(Gag), the MA domain, plays a critical role in the binding of Pr55(Gag) to the plasma membrane. Herein, we designed and synthesized myo-phosphatidylinositol 2,3,4,5,6-pentakisphosphate (PIP5) derivatives comprising highly phosphorylated inositol and variously modified diacylglycerol to examine the MA-binding properties. The inositol moiety was synthesized starting with myo-inositol and assembled with a hydrophobic glycerol moiety through a phosphate linkage. The Kd value for MA-binding of the PIP5 derivative 2 (Kd = 0.25 μM) was the lowest (i.e., highest affinity) of all derivatives, i.e., 70-fold lower than the Kd for the PIP2 derivative 1 (Kd = 16.9 μM) and 100-fold lower than the Kd for IP6 (Kd = 25.7 μM), suggesting the possibility that the PIP5 derivative blocks Pr55(Gag) membrane binding by competing with PIP2 in MA-binding.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cells, Cultured
  • Drug Design
  • Humans
  • Inositol Phosphates / chemical synthesis*
  • Inositol Phosphates / metabolism
  • Phytic Acid / analogs & derivatives*
  • Phytic Acid / chemical synthesis
  • Protein Precursors / metabolism*
  • Protein Structure, Tertiary
  • Surface Plasmon Resonance

Substances

  • Inositol Phosphates
  • Protein Precursors
  • p55 gag precursor protein, Human immunodeficiency virus 1
  • Phytic Acid