A Cinchona Alkaloid Antibiotic That Appears To Target ATP Synthase in Streptococcus pneumoniae

J Med Chem. 2019 Mar 14;62(5):2305-2332. doi: 10.1021/acs.jmedchem.8b01353. Epub 2019 Mar 1.

Abstract

Optochin, a cinchona alkaloid derivative discovered over 100 years ago, possesses highly selective antibacterial activity toward Streptococcus pneumoniae. Pneumococcal disease remains the leading source of bacterial pneumonia and meningitis worldwide. The structure-activity relationships of optochin were examined through modification to both the quinoline and quinuclidine subunits, which led to the identification of analogue 48 with substantially improved activity. Resistance and molecular modeling studies indicate that 48 likely binds to the c-ring of ATP synthase near the conserved glutamate 52 ion-binding site, while mechanistic studies demonstrated that 48 causes cytoplasmic acidification. Initial pharmacokinetic and drug metabolism analyses of optochin and 48 revealed limitations of these quinine analogues, which were rapidly cleared, resulting in poor in vivo exposure through hydroxylation pendants to the quinuclidine and O-dealkylation of the quinoline. Collectively, the results provide a foundation to advance 48 and highlight ATP synthase as a promising target for antibiotic development.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anti-Bacterial Agents / chemistry
  • Anti-Bacterial Agents / metabolism
  • Anti-Bacterial Agents / pharmacology*
  • Binding Sites
  • Cinchona Alkaloids / chemistry
  • Cinchona Alkaloids / metabolism
  • Cinchona Alkaloids / pharmacology*
  • Drug Resistance, Microbial
  • Microbial Sensitivity Tests
  • Mitochondrial Proton-Translocating ATPases / antagonists & inhibitors*
  • Mitochondrial Proton-Translocating ATPases / metabolism
  • Streptococcus pneumoniae / enzymology*
  • Structure-Activity Relationship

Substances

  • Anti-Bacterial Agents
  • Cinchona Alkaloids
  • F1F0-ATP synthase
  • Mitochondrial Proton-Translocating ATPases