Design, Synthesis, and in Vitro and in Vivo Evaluation of Ouabain Analogues as Potent and Selective Na,K-ATPase α4 Isoform Inhibitors for Male Contraception

J Med Chem. 2018 Mar 8;61(5):1800-1820. doi: 10.1021/acs.jmedchem.7b00925. Epub 2018 Jan 19.

Abstract

Na,K-ATPase α4 is a testis-specific plasma membrane Na+ and K+ transporter expressed in sperm flagellum. Deletion of Na,K-ATPase α4 in male mice results in complete infertility, making it an attractive target for male contraception. Na,K-ATPase α4 is characterized by a high affinity for the cardiac glycoside ouabain. With the goal of discovering selective inhibitors of the Na,K-ATPase α4 and of sperm function, ouabain derivatives were modified at the glycone (C3) and the lactone (C17) domains. Ouabagenin analogue 25, carrying a benzyltriazole moiety at C17, is a picomolar inhibitor of Na,K-ATPase α4, with an outstanding α4 isoform selectivity profile. Moreover, compound 25 decreased sperm motility in vitro and in vivo and affected sperm membrane potential, intracellular Ca2+, pH, and hypermotility. These results proved that the new ouabagenin triazole analogue is an effective and selective inhibitor of Na,K-ATPase α4 and sperm function.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Animals
  • Contraception / methods*
  • Drug Design
  • Enzyme Inhibitors / pharmacology
  • Humans
  • Isoenzymes / antagonists & inhibitors
  • Male
  • Mice
  • Ouabain / analogs & derivatives
  • Ouabain / pharmacology*
  • Sodium-Potassium-Exchanging ATPase / antagonists & inhibitors*
  • Sperm Motility / drug effects
  • Spermatozoa / drug effects
  • Spermatozoa / enzymology
  • Structure-Activity Relationship
  • Testis / enzymology

Substances

  • Enzyme Inhibitors
  • Isoenzymes
  • Ouabain
  • Sodium-Potassium-Exchanging ATPase