2,5-Diaryloxadiazoles and their precursors as novel inhibitors of cathepsins B, H and L

Bioorg Chem. 2016 Aug:67:64-74. doi: 10.1016/j.bioorg.2016.05.003. Epub 2016 May 14.

Abstract

High levels of cathepsins indicated in various pathological conditions like arthritis, cancer progressions, and atherosclerosis explains the need to explore potential inhibitors of these proteases which can be of great therapeutic significance. We, in the present work, report the synthesis of some 2,5-diaryloxadiazoles from N-subsitutedbenzylidenebenzohydrazides. The synthesized compounds were screened for their inhibitory potential on cathepsins B, H and L. Structure Activity Relationship studies show that 2,5-diaryloxadiazoles were less inhibitory than their precursors. 1i and 2k have been found to be most inhibitory to cathepsins B and L. Their Ki values have been calculated as 11.38×10(-8)M and 66.4×10(-8)M for cathepsin B and 4.2×10(-9)M and 47.31×10(-9)M for cathepsin L, respectively. However, cathepsin H activity was maximally inhibited by compounds, 1e and 2c with Ki values of 4.4×10(-7)M and 5.6×10(-7)M, respectively. Enzyme kinetic studies suggest that these compounds are competitive inhibitors to the enzymes. The results have been compared with docking results obtained using iGemDock.

Keywords: 2,5-Diaryloxadiazoles; Cathepsin B, cathepsin H and cathepsin L inhibitors; N-subsitutedbenzylidenebenzohydrazides.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Cathepsin B / antagonists & inhibitors*
  • Cathepsin B / metabolism
  • Cathepsin H / antagonists & inhibitors*
  • Cathepsin H / metabolism
  • Cathepsin L / antagonists & inhibitors*
  • Cathepsin L / metabolism
  • Dose-Response Relationship, Drug
  • Goats
  • Liver / enzymology
  • Molecular Docking Simulation
  • Molecular Structure
  • Oxadiazoles / chemical synthesis
  • Oxadiazoles / chemistry
  • Oxadiazoles / pharmacology*
  • Protease Inhibitors / chemical synthesis
  • Protease Inhibitors / chemistry
  • Protease Inhibitors / pharmacology*
  • Structure-Activity Relationship

Substances

  • Oxadiazoles
  • Protease Inhibitors
  • Cathepsin B
  • Cathepsin L
  • Cathepsin H