Inhibitors of HIV-1 attachment. Part 2: An initial survey of indole substitution patterns

Bioorg Med Chem Lett. 2009 Apr 1;19(7):1977-81. doi: 10.1016/j.bmcl.2009.02.040. Epub 2009 Feb 13.

Abstract

The effects of introducing simple halogen, alkyl, and alkoxy substituents to the 4, 5, 6 and 7 positions of 1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione, an inhibitor of the interaction between HIV gp120 and host cell CD4 receptors, on activity in an HIV entry assay was examined. Small substituents at C-4 generally resulted in increased potency whilst substitution at C-7 was readily tolerated and uniformly produced more potent HIV entry inhibitors. Substituents deployed at C-6 and, particularly, C-5 generally produced a modest to marked weakening of potency compared to the prototype. Small alkyl substituents at N-1 exerted minimal effect on activity whilst increasing the size of the alkyl moiety led to progressively reduced inhibitory properties. These studies establish a basic understanding of the indole element of the HIV attachment inhibitor pharmacophore.

MeSH terms

  • Animals
  • Cell Line
  • Dogs
  • HIV Envelope Protein gp120 / metabolism
  • HIV Fusion Inhibitors / chemistry*
  • HIV Fusion Inhibitors / pharmacology*
  • HIV Infections / prevention & control
  • HIV-1 / drug effects*
  • Humans
  • Indoles / chemistry
  • Indoles / pharmacokinetics
  • Indoles / pharmacology*
  • Rats
  • Structure-Activity Relationship
  • Virus Attachment / drug effects*

Substances

  • HIV Envelope Protein gp120
  • HIV Fusion Inhibitors
  • Indoles