Development and in Vitro Evaluation of a Microbicide Gel Formulation for a Novel Non-Nucleoside Reverse Transcriptase Inhibitor Belonging to the N-Dihydroalkyloxybenzyloxopyrimidines (N-DABOs) Family

J Med Chem. 2016 Mar 24;59(6):2747-59. doi: 10.1021/acs.jmedchem.5b01979. Epub 2016 Mar 8.

Abstract

Preventing HIV transmission by the use of a vaginal microbicide is a topic of considerable interest in the fight against AIDS. Both a potent anti-HIV agent and an efficient formulation are required to develop a successful microbicide. In this regard, molecules able to inhibit the HIV replication before the integration of the viral DNA into the genetic material of the host cells, such as entry inhibitors or reverse transcriptase inhibitors (RTIs), are ideal candidates for prevention purpose. Among RTIs, S- and N-dihydroalkyloxybenzyloxopyrimidines (S-DABOs and N-DABOs) are interesting compounds active at nanomolar concentration against wild type of RT and with a very interesting activity against RT mutations. Herein, novel N-DABOs were synthesized and tested as anti-HIV agents. Furthermore, their mode of binding was studied by molecular modeling. At the same time, a vaginal microbicide gel formulation was developed and tested for one of the most promising candidates.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Administration, Intravaginal
  • Anti-HIV Agents / administration & dosage
  • Anti-HIV Agents / pharmacology*
  • Cell Survival / drug effects
  • Chemistry, Pharmaceutical
  • DNA, Viral / biosynthesis
  • DNA, Viral / genetics
  • Dose-Response Relationship, Drug
  • Drug Design
  • Gels
  • HIV-1 / drug effects
  • Models, Molecular
  • Molecular Docking Simulation
  • Pyrimidines / chemical synthesis*
  • Pyrimidines / pharmacology*
  • Reverse Transcriptase Inhibitors / administration & dosage
  • Reverse Transcriptase Inhibitors / pharmacology*

Substances

  • Anti-HIV Agents
  • DNA, Viral
  • Gels
  • Pyrimidines
  • Reverse Transcriptase Inhibitors