Discovery of 2-Pyridinone Aminals: A Prodrug Strategy to Advance a Second Generation of HIV-1 Integrase Strand Transfer Inhibitors

J Med Chem. 2015 Oct 22;58(20):8154-65. doi: 10.1021/acs.jmedchem.5b01037. Epub 2015 Oct 8.

Abstract

The search for new molecular constructs that resemble the critical two-metal binding pharmacophore required for HIV integrase strand transfer inhibition represents a vibrant area of research within drug discovery. Here we present the discovery of a new class of HIV integrase strand transfer inhibitors based on the 2-pyridinone core of MK-0536. These efforts led to the identification of two lead compounds with excellent antiviral activity and preclinical pharmacokinetic profiles to support a once-daily human dose prediction. Dose escalating PK studies in dog revealed significant issues with limited oral absorption and required an innovative prodrug strategy to enhance the high-dose plasma exposures of the parent molecules.

MeSH terms

  • Animals
  • Area Under Curve
  • Dogs
  • Dose-Response Relationship, Drug
  • Drug Design
  • HIV Integrase / drug effects
  • HIV Integrase / metabolism
  • HIV Integrase Inhibitors / chemical synthesis*
  • HIV Integrase Inhibitors / pharmacokinetics
  • HIV Integrase Inhibitors / pharmacology*
  • HIV-1 / drug effects
  • HIV-1 / enzymology
  • HIV-1 / genetics
  • Humans
  • Models, Molecular
  • Prodrugs
  • Pyridones / chemical synthesis*
  • Pyridones / pharmacokinetics
  • Pyridones / pharmacology*
  • Rats

Substances

  • HIV Integrase Inhibitors
  • Prodrugs
  • Pyridones
  • HIV Integrase
  • p31 integrase protein, Human immunodeficiency virus 1

Associated data

  • PDB/4ZTF
  • PDB/4ZTJ