Repositioning of Endonuclear Receptors Binders as Potential Antibacterial and Antifungal Agents. Eptyloxìm: A Potential and Novel Gyrase B and Cytochrome Cyp51 Inhibitor

Mol Inform. 2016 Sep;35(8-9):326-32. doi: 10.1002/minf.201600021. Epub 2016 May 12.

Abstract

A novel class of antibacterial and antifungal agents is here identified by means of dockings and virtual screening techniques. Biological data proved the initial effort, formulated on the structure similarity of nuclear receptors binders with known quinolones or thiazole derivatives, to reposition PPARs agonists as likely bacterial type II topoisomerases inhibitors.

Keywords: Docking; Drug repositioning; Topisomerase inhibitors; Virtual screening.

MeSH terms

  • 14-alpha Demethylase Inhibitors / chemistry*
  • 14-alpha Demethylase Inhibitors / pharmacology
  • Anti-Bacterial Agents / chemistry*
  • Anti-Bacterial Agents / pharmacology
  • Antifungal Agents / chemistry*
  • Antifungal Agents / pharmacology
  • DNA Gyrase / metabolism*
  • DNA Topoisomerases, Type II / metabolism
  • Peroxisome Proliferator-Activated Receptors / agonists
  • Quinolones / chemistry
  • Quinolones / pharmacology
  • Sterol 14-Demethylase / metabolism
  • Thiazoles / chemistry
  • Thiazoles / pharmacology
  • Topoisomerase II Inhibitors / chemistry*
  • Topoisomerase II Inhibitors / pharmacology

Substances

  • 14-alpha Demethylase Inhibitors
  • Anti-Bacterial Agents
  • Antifungal Agents
  • Peroxisome Proliferator-Activated Receptors
  • Quinolones
  • Thiazoles
  • Topoisomerase II Inhibitors
  • Sterol 14-Demethylase
  • DNA Gyrase
  • DNA Topoisomerases, Type II