Design, synthesis and biological evaluation of novel non-peptide boronic acid derivatives as proteasome inhibitors

Eur J Med Chem. 2017 Mar 10:128:180-191. doi: 10.1016/j.ejmech.2017.01.034. Epub 2017 Jan 23.

Abstract

A novel series of non-peptide proteasome inhibitors bearing the 1, 4-naphthoquinone scaffold and boronic acid warhead was developed. In the biological evaluation on the chymotrypsin-like activity of human 20S proteasome, five compounds showed IC50 values in the nanomolar range. Docking experiments into the yeast 20S proteasome rationalized their biological activities and allowed further optimization of this interesting class of inhibitors. Within the cellular proliferation inhibition assay and western blot analysis, compound 3e demonstrated excellent anti-proliferative activity against solid tumor cells and clear accumulation of ubiquitinated cellular proteins. Furthermore, in the microsomal stability assay compound 3e demonstrated much improved metabolic stability compared to bortezomib, emerging as a promising lead compound for further design of non-peptide proteasome inhibitors.

Keywords: 1, 4-naphthoquinones; Docking studies; Non-peptide boronic acid; Proteasome inhibitors.

Publication types

  • Evaluation Study

MeSH terms

  • Animals
  • Antineoplastic Agents / chemistry
  • Antineoplastic Agents / pharmacology*
  • Blotting, Western
  • Boronic Acids / chemistry*
  • Bortezomib / pharmacology
  • Cell Proliferation / drug effects*
  • Cells, Cultured
  • Dipeptides / chemistry
  • Dipeptides / pharmacology*
  • Drug Design*
  • Humans
  • Male
  • Microsomes, Liver / drug effects
  • Microsomes, Liver / metabolism
  • Models, Molecular
  • Molecular Docking Simulation
  • Molecular Structure
  • Naphthoquinones / chemistry
  • Naphthoquinones / pharmacology*
  • Proteasome Endopeptidase Complex / chemistry*
  • Proteasome Inhibitors / chemistry
  • Proteasome Inhibitors / pharmacology*
  • Rats
  • Rats, Sprague-Dawley
  • Structure-Activity Relationship

Substances

  • Antineoplastic Agents
  • Boronic Acids
  • Dipeptides
  • N-(1,4-naphthoquinon-2-yl)-L-phenylalanine-L-boronoleucine
  • Naphthoquinones
  • Proteasome Inhibitors
  • Bortezomib
  • Proteasome Endopeptidase Complex