Effects of lipophilicity on the affinity and nonspecific binding of iodinated benzothiazole derivatives

J Mol Neurosci. 2003;20(3):255-60. doi: 10.1385/JMN:20:3:255.

Abstract

Aseries of novel 2-aryl benzothiazole derivates substituted with iodine in different positions have been synthesized as amyloid-binding ligands. The affinity of these compounds for synthetic amyloid beta (1-40) (Abeta[1-40]) fibrils was determined. Introduction of the iodo group in the position ortho to an amino group increased the binding affinity, whereas the iodination ortho to a hydroxyl group decreased the binding affinity. Selected compounds with high binding affinity and moderate lipophilicity (logP values, 1.65-3.90) were radiolabeled and evaluated in normal mice for brain uptake and clearance. Structure-activity relationship (SAR) studies showed a strong correlation between the lipophilicity of the iodinated compounds and the binding affinity as well as nonspecific binding. As the lipophilicity increased, the affinity for Abeta(1-40) fibrils improved; however, nonspecific binding in mouse brain reflected by low brain clearance also increased with increasing lipophilicity. These results provide important SAR information to guide the development of novel amyloid-binding agents and provide further insights into the molecular interaction between 2-aryl benzothiazole ligands and Abeta fibrils.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, P.H.S.

MeSH terms

  • Alzheimer Disease / diagnostic imaging*
  • Alzheimer Disease / metabolism
  • Animals
  • Binding Sites / drug effects
  • Binding Sites / physiology
  • Binding, Competitive / physiology
  • Brain / diagnostic imaging*
  • Brain / metabolism
  • Female
  • Iodine Radioisotopes* / chemistry
  • Iodine Radioisotopes* / metabolism
  • Membrane Lipids / chemistry*
  • Mice
  • Molecular Conformation
  • Molecular Structure
  • Plaque, Amyloid / chemistry
  • Plaque, Amyloid / diagnostic imaging*
  • Plaque, Amyloid / metabolism
  • Radionuclide Imaging
  • Thiazoles* / chemistry
  • Thiazoles* / metabolism

Substances

  • Iodine Radioisotopes
  • Membrane Lipids
  • Thiazoles