Molecules (Nov 2014)

New Biscoumarin Derivatives: Synthesis, Crystal Structure, Theoretical Study and Antibacterial Activity against Staphylococcus aureus

  • Di Qu,
  • Jing Li,
  • Xiao-Hui Yang,
  • Zi-Dan Zhang,
  • Xiao-Xing Luo,
  • Ming-Kai Li,
  • Xia Li

DOI
https://doi.org/10.3390/molecules191219868
Journal volume & issue
Vol. 19, no. 12
pp. 19868 – 19879

Abstract

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Five novel biscoumarins 1–5 were synthesized and characterized. In these compounds, two classical asymmetrical intramolecular O–H···O hydrogen bonds were used to stabilize the whole structures and the HB energies were performed with the density functional theory (DFT) [B3LYP/6-31G*] method. The five compounds were evaluated for their in vitro antibacterial activities against Staphylococcus aureus (S. aureus ATCC 29213), methicillin-resistant S. aureus (MRSA XJ 75302), vancomycin-intermediate S. aureus (Mu50 ATCC 700699), and USA 300 (Los Angeles County clone, LAC) by the means of minimum inhibitory concentration and time-kill curves.

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