Synthesis and structure-activity relationship of the first nonpeptidergic inverse agonists for the human cytomegalovirus encoded chemokine receptor US28

J Med Chem. 2005 Oct 6;48(20):6461-71. doi: 10.1021/jm050418d.

Abstract

US28 is a human cytomegalovirus (HCMV) encoded G-protein-coupled receptor that signals in a constitutively active manner. Recently, we identified 1 [5-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile] as the first reported nonpeptidergic inverse agonist for a viral-encoded chemokine receptor. Interestingly, this compound is able to partially inhibit the viral entry of HIV-1. In this study we describe the synthesis of 1 and several of its analogues and unique structure-activity relationships for this first class of small-molecule ligands for the chemokine receptor US28. Moreover, the compounds have been pharmacologically characterized as inverse agonists on US28. By modification of lead structure 1, it is shown that a 4-phenylpiperidine moiety is essential for affinity and activity. Other structural features of 1 are shown to be of less importance. These compounds define the first SAR of ligands on a viral GPCR (US28) and may therefore serve as important tools to investigate the significance of US28-mediated constitutive activity during viral infection.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Antiviral Agents / chemical synthesis*
  • Antiviral Agents / chemistry
  • Antiviral Agents / pharmacology
  • Benzhydryl Compounds / chemical synthesis*
  • Benzhydryl Compounds / chemistry
  • Benzhydryl Compounds / pharmacology
  • COS Cells
  • Chlorocebus aethiops
  • Cytomegalovirus / drug effects*
  • Cytomegalovirus / metabolism
  • Humans
  • Inositol Phosphates / biosynthesis
  • Ligands
  • Piperidines / chemical synthesis*
  • Piperidines / chemistry
  • Piperidines / pharmacology
  • Radioligand Assay
  • Receptors, Chemokine / agonists*
  • Structure-Activity Relationship
  • Viral Proteins / agonists*

Substances

  • 5-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile
  • Antiviral Agents
  • Benzhydryl Compounds
  • Inositol Phosphates
  • Ligands
  • Piperidines
  • Receptors, Chemokine
  • US28 receptor, Cytomegalovirus
  • Viral Proteins