In vitro and in silico evidences about the inhibition of MepA efflux pump by coumarin derivatives

Microb Pathog. 2023 Sep:182:106246. doi: 10.1016/j.micpath.2023.106246. Epub 2023 Jul 14.

Abstract

The discovery of antibiotics has significantly transformed the outcomes of bacterial infections in the last decades. However, the development of antibiotic resistance mechanisms has allowed an increasing number of bacterial strains to overcome the action of antibiotics, decreasing their effectiveness against infections they were developed to treat. This study aimed to evaluate the antibacterial activity of synthetic coumarins Staphylococcus aureus in vitro and analyze their interaction with the MepA efflux pump in silico. The Minimum Inhibitory Concentration (MIC) determination showed that none of the test compounds have antibacterial activity. However, all coumarin derivatives decreased the MIC of the standard efflux inhibitor ethidium bromide, indicating antibacterial synergism. On the other hand, the C14 derivative potentiated the antibacterial activity of ciprofloxacin against the resistant strain. In silico analysis showed that C9, C11, and C13 coumarins showed the most favorable interaction with the MepA efflux pump. Nevertheless, due to the present in silico and in vitro investigation limitations, further experimental research is required to confirm the therapeutic potential of these compounds in vivo.

Keywords: Coumarin derivatives; Efllux pump; MepA; Molecular docking; Staphylococcus aureus.

MeSH terms

  • Anti-Bacterial Agents / pharmacology
  • Bacterial Proteins / metabolism
  • Ciprofloxacin / pharmacology
  • Coumarins* / pharmacology
  • Microbial Sensitivity Tests
  • Multidrug Resistance-Associated Proteins*
  • Staphylococcus aureus / metabolism

Substances

  • Coumarins
  • Multidrug Resistance-Associated Proteins
  • Anti-Bacterial Agents
  • Ciprofloxacin
  • Bacterial Proteins