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Bioactive principles in the bark of Pilidiostigma tropicum

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...

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Bibliographic Details
Published in:Journal of molecular modeling 2006-07, Vol.12 (5), p.703-711
Main Authors: Setzer, William N, Rozmus, Glenn F, Setzer, Mary C, Schmidt, Jennifer M, Vogler, Bernhard, Reeb, Sabine, Jackes, Betsy R, Irvine, Anthony K
Format: Article
Language:English
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Summary: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.
ISSN:1610-2940
0948-5023
DOI:10.1007/s00894-005-0047-1