Rottlerin: Structure Modifications and KCNQ1/KCNE1 Ion Channel Activity

ChemMedChem. 2020 Jun 17;15(12):1078-1088. doi: 10.1002/cmdc.202000083. Epub 2020 May 5.

Abstract

The slow delayed rectifier potassium current (IKs ) is formed by the KCNQ1 (Kv 7.1) channel, an ion channel of four α-subunits that modulates KCNE1 β-subunits. IKs is central to the repolarization of the cardiac action potential. Loss of function mutation reducing ventricular cardiac IKs cause the long-QT syndrome (LQTS), a disorder that predisposes patients to arrhythmia and sudden death. Current therapy for LQTS is inadequate. Rottlerin, a natural product of the kamala tree, activates IKs and has the potential to provide a new strategy for rational drug therapy. In this study, we show that simple modifications such as penta-acetylation or penta-methylation of rottlerin blunts activation activity. Total synthesis was used to prepare side-chain-modified derivatives that slowed down KCNQ1/KCNE1 channel deactivation to different degrees. A binding hypothesis of rottlerin is provided that opens the way to improved IKs activators as novel therapeutics for the treatment of LQTS.

Keywords: mode of action; natural product rottlerin; potassium channel KCNQ1 activator; total synthesis.

MeSH terms

  • Acetophenones / chemical synthesis
  • Acetophenones / metabolism
  • Acetophenones / pharmacology*
  • Animals
  • Benzopyrans / chemical synthesis
  • Benzopyrans / metabolism
  • Benzopyrans / pharmacology*
  • Binding Sites
  • Humans
  • KCNQ1 Potassium Channel / agonists*
  • KCNQ1 Potassium Channel / metabolism
  • Molecular Docking Simulation
  • Oocytes / drug effects
  • Potassium Channels, Voltage-Gated / agonists*
  • Protein Binding
  • Xenopus Proteins / agonists*
  • Xenopus laevis

Substances

  • Acetophenones
  • Benzopyrans
  • KCNE1 protein, Xenopus
  • KCNQ1 Potassium Channel
  • KCNQ1 protein, human
  • Potassium Channels, Voltage-Gated
  • Xenopus Proteins
  • rottlerin