Discovery of Potent Benzocycloalkane Derived Diapophytoene Desaturase Inhibitors with an Enhanced Safety Profile for the Treatment of MRSA, VISA, and LRSA Infections

ACS Infect Dis. 2018 Mar 9;4(3):208-217. doi: 10.1021/acsinfecdis.7b00259. Epub 2018 Feb 12.

Abstract

Blocking the biosynthesis process of staphyloxanthin has emerged as a promising antivirulence strategy. Our previous research revealed that diapophytoene desaturase was an attractive and druggable target against infections caused by pigmented Staphylococcus aureus. Benzocycloalkane-derived compounds were effective inhibitors of diapophytoene desaturase but limited by high hERG (human Ether-a-go-go Related Gene) inhibition activity. Here, we identified a new type of benzo-hepta-containing cycloalkane derivative as diapophytoene desaturase inhibitors. Among the fifty-eight analogues, 48 (hERG inhibition activity, half maximal inhibitory concentration, IC50, of 16.1 μM) and 51 (hERG inhibition activity, IC50 > 40 μM) were distinguished for effectively inhibiting the pigment production of Staphylococcus aureus Newman and three methicillin-resistant Staphylococcus aureus strains, and the four strains were highly sensitize to hydrogen peroxide killing without a bactericidal growth effect. In an in vivo assay, 48 and 51 displayed a comparable effect with linezolid and vancomycin in livers and hearts in mice against Staphylococcus aureus Newman and a more considerable effect against Mu50 and NRS271 with normal administration.

Keywords: Staphylococcus aureus; diapophytoene desaturase; hERG safety; methicillin-resistant Staphylococcus aureus.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Animals
  • Anti-Bacterial Agents / chemical synthesis
  • Anti-Bacterial Agents / pharmacology*
  • Anti-Bacterial Agents / therapeutic use
  • Anti-Bacterial Agents / toxicity
  • Cell Line
  • Cell Survival / drug effects
  • Cycloparaffins / chemical synthesis
  • Cycloparaffins / pharmacology*
  • Cycloparaffins / therapeutic use
  • Cycloparaffins / toxicity
  • Disease Models, Animal
  • Drug-Related Side Effects and Adverse Reactions / epidemiology
  • Drug-Related Side Effects and Adverse Reactions / pathology
  • Enzyme Inhibitors / chemical synthesis
  • Enzyme Inhibitors / pharmacology*
  • Enzyme Inhibitors / therapeutic use
  • Enzyme Inhibitors / toxicity
  • Epithelial Cells / drug effects
  • Humans
  • Inhibitory Concentration 50
  • Methicillin Resistance
  • Mice
  • Pigments, Biological / analysis
  • Staphylococcal Infections / drug therapy
  • Staphylococcal Infections / microbiology
  • Staphylococcus aureus / drug effects*
  • Survival Analysis
  • Treatment Outcome
  • Vancomycin Resistance

Substances

  • Anti-Bacterial Agents
  • Cycloparaffins
  • Enzyme Inhibitors
  • Pigments, Biological