The utility of pharmacokinetic-pharmacodynamic modeling in the discovery and optimization of selective S1P(1) agonists

Xenobiotica. 2012 Jul;42(7):671-86. doi: 10.3109/00498254.2011.645908. Epub 2012 Jan 9.

Abstract

Sphingosine-1-phosphate (S1P(1)) receptor agonists such as Fingolimod (FTY-720) are a novel class of immunomodulators that have clinical utility in the treatment of remitting relapsing multiples sclerosis. This class of compound act by inducing peripheral lymphopenia. Using an integrated pharmacokinetic/pharmacodynamic (PK-PD) approach based on an in vivo rat model, novel S1P(1) agonists were identified with a predicted more rapid rate of reversibility of lymphocyte reduction in human compared to Fingolimod. The in vivo potency of 15 compounds based on PK-PD modelling of the rat lymphocyte reduction model was correlated with in vitro measures of potency at the S1P(1) receptor using β arrestin recruitment and G-protein signalling. A structurally novel S1P(1) agonist was identified and predictions of human pharmacokinetics and clinical dose are presented.

MeSH terms

  • Animals
  • Arrestin / metabolism
  • Fingolimod Hydrochloride
  • GTP-Binding Proteins / metabolism
  • Lymphocytes / drug effects
  • Lymphocytes / metabolism
  • Lysophospholipids / agonists*
  • Lysophospholipids / metabolism
  • Male
  • Multiple Sclerosis, Relapsing-Remitting / drug therapy
  • Propylene Glycols / pharmacokinetics*
  • Propylene Glycols / pharmacology
  • Propylene Glycols / therapeutic use
  • Rats
  • Rats, Inbred Strains
  • Signal Transduction
  • Sphingosine / agonists
  • Sphingosine / analogs & derivatives*
  • Sphingosine / metabolism
  • Sphingosine / pharmacokinetics
  • Sphingosine / pharmacology
  • Sphingosine / therapeutic use

Substances

  • Arrestin
  • Lysophospholipids
  • Propylene Glycols
  • sphingosine 1-phosphate
  • GTP-Binding Proteins
  • Fingolimod Hydrochloride
  • Sphingosine