Discovery of novel piperonyl derivatives as diapophytoene desaturase inhibitors for the treatment of methicillin-, vancomycin- and linezolid-resistant Staphylococcus aureus infections

Eur J Med Chem. 2018 Feb 10:145:235-251. doi: 10.1016/j.ejmech.2017.12.090. Epub 2017 Dec 29.

Abstract

Inhibition of S. aureus diapophytoene desaturase (CrtN) could serve as an alternative approach for addressing the tricky antibiotic resistance by blocking the biosynthesis of carotenoid pigment which shields the bacterium from host oxidant killing. In this study, we designed and synthesized 44 derivatives with piperonyl scaffold targeting CrtN and the structure-activity relationships (SARs) were examined extensively to bring out the discovery of 21b with potent efficacy and better hERG safety profile compared to the first class CrtN inhibitor benzocycloalkane derivative 2. Except the excellent pigment inhibitory activity against wild-type S. aureus, 21b also showed excellent pigment inhibition against four pigmented MRSA strains. In addition, H2O2 killing and human whole blood killing assays proved 21b could sensitize S. aureus to be killed under oxidative stress conditions. Notably, the murine study in vivo validated the efficacy of 21b against pigmented S. aureus Newman, vancomycin-intermediate S. aureus Mu50 and linezolid-resistant S. aureus NRS271.

Keywords: CrtN inhibitor; Pigment inhibitory activity; Resistant S. aureus; STX biosynthesis.

MeSH terms

  • Animals
  • Anti-Bacterial Agents / chemical synthesis
  • Anti-Bacterial Agents / chemistry
  • Anti-Bacterial Agents / pharmacology*
  • Bacterial Proteins / antagonists & inhibitors*
  • Bacterial Proteins / metabolism
  • Dose-Response Relationship, Drug
  • Drug Discovery
  • Drug Resistance, Bacterial / drug effects*
  • Humans
  • Linezolid / pharmacology
  • Methicillin / pharmacology
  • Mice
  • Microbial Sensitivity Tests
  • Molecular Structure
  • Oxidoreductases / antagonists & inhibitors*
  • Oxidoreductases / metabolism
  • Piperonyl Butoxide / analogs & derivatives
  • Piperonyl Butoxide / chemistry
  • Piperonyl Butoxide / pharmacology*
  • Staphylococcal Infections / drug therapy*
  • Staphylococcus aureus / drug effects*
  • Staphylococcus aureus / enzymology
  • Structure-Activity Relationship
  • Vancomycin / pharmacology

Substances

  • Anti-Bacterial Agents
  • Bacterial Proteins
  • Vancomycin
  • CrtN protein, Staphylococcus aureus
  • Oxidoreductases
  • Linezolid
  • Piperonyl Butoxide
  • Methicillin