Inhibitors of HIV-1 maturation: Development of structure-activity relationship for C-28 amides based on C-3 benzoic acid-modified triterpenoids

Bioorg Med Chem Lett. 2016 Apr 15;26(8):1925-30. doi: 10.1016/j.bmcl.2016.03.019. Epub 2016 Mar 8.

Abstract

We have recently reported on the discovery of a C-3 benzoic acid (1) as a suitable replacement for the dimethyl succinate side chain of bevirimat (2), an HIV-1 maturation inhibitor that reached Phase II clinical trials before being discontinued. Recent SAR studies aimed at improving the antiviral properties of 2 have shown that the benzoic acid moiety conferred topographical constraint to the pharmacophore and was associated with a lower shift in potency in the presence of human serum albumin. In this manuscript, we describe efforts to improve the polymorphic coverage of the C-3 benzoic acid chemotype through modifications at the C-28 position of the triterpenoid core. The dimethylaminoethyl amides 17 and 23 delivered improved potency toward bevirimat-resistant viruses while increasing C24 in rat oral PK studies.

Keywords: Benzoic acid; Betulinic acid; C-28 amide; HIV-1; Maturation inhibitor; Triterpenoid.

MeSH terms

  • Administration, Oral
  • Amides / administration & dosage
  • Amides / chemistry
  • Amides / pharmacology*
  • Animals
  • Anti-HIV Agents / administration & dosage
  • Anti-HIV Agents / chemistry*
  • Anti-HIV Agents / pharmacology*
  • Benzoates / administration & dosage
  • Benzoates / chemistry
  • Benzoates / pharmacology*
  • Dose-Response Relationship, Drug
  • HIV / drug effects*
  • HIV / growth & development*
  • Humans
  • Microbial Sensitivity Tests
  • Microsomes, Liver / drug effects
  • Microsomes, Liver / metabolism
  • Molecular Structure
  • Rats
  • Structure-Activity Relationship
  • Triterpenes / administration & dosage
  • Triterpenes / chemistry
  • Triterpenes / pharmacology*

Substances

  • Amides
  • Anti-HIV Agents
  • Benzoates
  • Triterpenes