Bioactive principles in the bark of Pilidiostigma tropicum

J Mol Model. 2006 Jul;12(5):703-11. doi: 10.1007/s00894-005-0047-1. Epub 2006 Apr 7.

Abstract

The crude dichloromethane bark extract of Pilidiostigma tropicum (Myrtaceae) from north Queensland, Australia, shows antibacterial and cytotoxic activity. Bioactivity-directed separation led to the isolation of rhodomyrtoxin B and ursolic acid-3-p-coumarate as the biologically active materials. The structures of these compounds were elucidated on the basis of spectral analysis. The intercalation interaction of rhodomyrtoxin B with DNA was investigated using molecular mechanics and ab initio molecular-orbital techniques. A favorable pi-pi interaction between rhodomyrtoxin B and the cytosine-guanine base pair is predicted, but the orientation of the interaction cannot be predicted based on frontier molecular orbitals.

Publication types

  • Research Support, N.I.H., Extramural

MeSH terms

  • Amsacrine / chemistry
  • Anti-Bacterial Agents / chemistry
  • Anti-Bacterial Agents / isolation & purification
  • Anti-Bacterial Agents / pharmacology
  • Bacillus cereus / drug effects
  • Base Pairing
  • Benzofurans / chemistry*
  • Benzofurans / isolation & purification
  • Benzofurans / pharmacology*
  • Cell Line, Tumor
  • Cytosine / chemistry
  • Doxorubicin / chemistry
  • Guanine / chemistry
  • Humans
  • Models, Molecular
  • Molecular Conformation
  • Myrtaceae / chemistry*
  • Plant Bark / chemistry*
  • Plant Extracts / chemistry
  • Plant Extracts / pharmacology
  • Staphylococcus aureus / drug effects

Substances

  • Anti-Bacterial Agents
  • Benzofurans
  • Plant Extracts
  • rhodomyrtoxin B
  • Amsacrine
  • Guanine
  • Doxorubicin
  • Cytosine