Highly potent HIV inhibition: engineering a key anti-HIV structure from PSC-RANTES into MIP-1 beta/CCL4

Protein Eng Des Sel. 2008 Feb;21(2):65-72. doi: 10.1093/protein/gzm079. Epub 2008 Jan 4.

Abstract

The HIV coreceptor CCR5 is a validated target for both the prevention and therapy of HIV infection. PSC-RANTES, an N-terminally modified analogue of one of the natural chemokine ligands of CCR5 (RANTES/CCL5), is a potent inhibitor of HIV entry into target cells. Here, we set out to engineer the anti-HIV activity of PSC-RANTES into another natural CCR5 ligand (MIP-1beta/CCL4), by grafting into it the key N-terminal pharmacophore region from PSC-RANTES. We were able to identify MIP-1beta/CCL4 analogues that retain the receptor binding profile of MIP-1beta/CCL4, but acquire the very high anti-HIV potency and characteristic inhibitory mechanism of PSC-RANTES. Unexpectedly, we discovered that in addition to N-terminal structures from PSC-RANTES, the side chain of Lys33 is also necessary for full anti-HIV potency.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Anti-HIV Agents / chemical synthesis*
  • Cells, Cultured
  • Chemokine CCL4 / genetics
  • Chemokine CCL4 / therapeutic use*
  • Chemokine CCL5 / genetics
  • Chemokine CCL5 / therapeutic use*
  • Drug Design*
  • HIV / drug effects*
  • Humans
  • Molecular Sequence Data
  • Structure-Activity Relationship

Substances

  • Anti-HIV Agents
  • Chemokine CCL4
  • Chemokine CCL5
  • RANTES, N(alpha)-(n-nonanoyl)-desSer(1)-(thioproline(2),cyclohexylglycine(3))-