An allosteric ligand-binding site in the extracellular cap of K2P channels

Nat Commun. 2017 Aug 29;8(1):378. doi: 10.1038/s41467-017-00499-3.

Abstract

Two-pore domain potassium (K2P) channels generate leak currents that are responsible for the maintenance of the resting membrane potential, and they are thus potential drug targets for treating diseases. Here, we identify N-(4-cholorphenyl)-N-(2-(3,4-dihydrosioquinolin-2(1H)-yl)-2-oxoethyl)methanesulfonamide (TKDC) as an inhibitor of the TREK subfamily, including TREK-1, TREK-2 and TRAAK channels. Using TKDC as a chemical probe, a study combining computations, mutagenesis and electrophysiology reveals a K2P allosteric ligand-binding site located in the extracellular cap of the channels. Molecular dynamics simulations suggest that ligand-induced allosteric conformational transitions lead to blockage of the ion conductive pathway. Using virtual screening approach, we identify other inhibitors targeting the extracellular allosteric ligand-binding site of these channels. Overall, our results suggest that the allosteric site at the extracellular cap of the K2P channels might be a promising drug target for these membrane proteins.TREKs are members of the two-pore domain potassium (K2P) channels, being important clinical targets. Here the authors identify inhibitors of K2P that bind to an allosteric site located in their extracellular cap, suggesting that it might be a promising drug target for these channels.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Antidepressive Agents / pharmacology
  • Behavior, Animal / drug effects
  • Binding Sites
  • CHO Cells
  • Cricetulus
  • Humans
  • Male
  • Mice
  • Mice, Inbred C57BL
  • Molecular Dynamics Simulation
  • Potassium Channel Blockers / chemistry*
  • Potassium Channels
  • Potassium Channels, Tandem Pore Domain / antagonists & inhibitors*
  • Sulfonamides / chemistry
  • Sulfonamides / pharmacology

Substances

  • Antidepressive Agents
  • KCNK10 protein, human
  • KCNK4 protein, human
  • N-(4-cholorphenyl)-N-(2-(3,4-dihydrosioquinolin-2(1H)-yl)-2-oxoethyl)methanesulfonamide
  • Potassium Channel Blockers
  • Potassium Channels
  • Potassium Channels, Tandem Pore Domain
  • Sulfonamides
  • potassium channel protein TREK-1