HIV protease inhibitor HOE/BAY 793, structure-activity relationships in a series of C2-symmetric diols

Bioorg Med Chem. 1995 May;3(5):559-71. doi: 10.1016/0968-0896(95)00069-s.

Abstract

A detailed structure-activity relationship of C2-symmetric diol inhibitors of HIV-1 protease leads to inhibitor 6 (HOE/BAY 793) which is outstanding in the inhibition of the enzyme and in the inhibition of viral replication in HIV infected cell culture (IC50: 0.3 nM; EC50: 3 nM). There are well defined steric requirements for the design of the side chains P1-P3 of the inhibitors. In addition, all three side chains need to be lipophilic. While the enzyme tolerates hydrophilic substituents in some cases, drastic reductions in anti-HIV activity are observed in cell culture, most likely due to insufficient cell penetration.

MeSH terms

  • Carbon
  • Cells, Cultured
  • HIV Protease Inhibitors / chemistry
  • HIV Protease Inhibitors / pharmacology*
  • HIV-1 / drug effects*
  • HIV-1 / enzymology
  • Humans
  • Structure-Activity Relationship
  • Valine / analogs & derivatives*
  • Valine / chemistry
  • Valine / pharmacology

Substances

  • HIV Protease Inhibitors
  • Hoe-Bay 793
  • Carbon
  • Valine