Indole-derived psammaplin A analogues as epigenetic modulators with multiple inhibitory activities

J Med Chem. 2012 Nov 26;55(22):9467-91. doi: 10.1021/jm300618u. Epub 2012 Oct 17.

Abstract

A SAR study has been carried out around a modified scaffold of the natural product psammaplin A obtained by replacing the o-bromophenol unit by an indole ring. A series of indole psammaplin A constructs were generated in a short synthetic sequence that starts with the functionalization of the C3 indole position with in situ generated nitrosoacrylate, and this is followed by protection of the β-indole-α-oximinoesters, saponification, condensation with symmetrical diamines, and deprotection. Biochemical and cellular characterization using U937 and MCF-7 cells confirmed that many of these analogues displayed more potent actitivies than the parent natural product. Moreover, in addition to the reported HDAC and DNMT dual epigenetic inhibitory profile of the parent compound, some analogues, notably 4a (UVI5008), also inhibited the NAD(+)-dependent SIRT deacetylase enzymes. The SAR study provides structural insights into the mechanism of action of these multiple epigenetic ligands and paves the way for additional structural exploration to optimize their pharmacological profiles. Because of their multi(epi)target features and their action in ex vivo samples, the indole-based psammaplin A derivatives are attractive molecules for the modulation of epigenetic disorders.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Apoptosis / drug effects
  • Blotting, Western
  • Cell Cycle / drug effects
  • Cell Differentiation / drug effects
  • Cell Proliferation / drug effects
  • DNA (Cytosine-5-)-Methyltransferase 1
  • DNA (Cytosine-5-)-Methyltransferases / antagonists & inhibitors*
  • Disulfides / chemistry*
  • Disulfides / pharmacology*
  • Epigenomics*
  • Histone Deacetylase Inhibitors / pharmacology*
  • Histone Deacetylases / chemistry*
  • Humans
  • Immunoprecipitation
  • Indoles / chemistry*
  • Leukemia, Myeloid, Acute / drug therapy
  • MCF-7 Cells
  • Models, Molecular
  • Molecular Dynamics Simulation
  • Molecular Structure
  • Oximes / pharmacology*
  • Protein Conformation
  • Spectrometry, Mass, Matrix-Assisted Laser Desorption-Ionization
  • Structure-Activity Relationship
  • Tyrosine / analogs & derivatives*
  • Tyrosine / chemistry
  • U937 Cells

Substances

  • Disulfides
  • Histone Deacetylase Inhibitors
  • Indoles
  • Oximes
  • UVI5008
  • psammaplin A
  • Tyrosine
  • DNA (Cytosine-5-)-Methyltransferase 1
  • DNA (Cytosine-5-)-Methyltransferases
  • Histone Deacetylases