Calixarene-based artificial ionophores for chloride transport across natural liposomal bilayer: Synthesis, structure-function relationships, and computational study

Biochim Biophys Acta Biomembr. 2021 Oct 1;1863(10):183667. doi: 10.1016/j.bbamem.2021.183667. Epub 2021 Jun 7.

Abstract

An amphiphilic calix[6]arene, alone or complexed with an axle to form a pseudo-rotaxane, has been embedded into liposomes prepared from 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) and the permeability of the membrane-doped liposomes towards Cl- ions has been evaluated by using lucigenin as the fluorescent probe. The pseudo-rotaxane promotes transmembrane transport of Cl- ions more than calix[6]arene does. Surprisingly, the quenching of lucigenin was very fast for liposomes doped with the positively charged axle alone. Molecular dynamics (MD) simulations and quantum-chemical calculations were also carried out for providing a semi-quantitative support to the experimental results.

Keywords: Anion-π interactions; Calixarenes; Ion channel; Liposomes; Pseudo-rotaxanes.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Calixarenes / metabolism*
  • Chlorides / metabolism*
  • Computational Biology / methods
  • Ionophores / metabolism*
  • Lipid Bilayers*
  • Liposomes*
  • Molecular Dynamics Simulation
  • Structure-Activity Relationship

Substances

  • Chlorides
  • Ionophores
  • Lipid Bilayers
  • Liposomes
  • Calixarenes