Bioactive principles in the bark of Pilidiostigma tropicum

Journal Publication ResearchOnline@JCU
Setzer, William N.;Rozmus, Glenn F.;Setzer, Mary C.;Schmidt, Jennifer M.;Vogler, Bernhard;Reeb, Sabine;Jackes, Betsy R.;Irvine, Anthony K.
Betsy Jackes
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 π−π 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.

Journal

Journal of Molecular Modeling

Publication Name

Journal of Molecular Modeling

Volume

12

ISBN/ISSN

0948-5023

Edition

N/A

Issue

5

Pages Count

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Location

N/A

Publisher

Springer

Publisher Url

N/A

Publisher Location

New York, USA -NY

Publish Date

N/A

Url

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Date

N/A

EISSN

N/A

DOI

10.1007/s00894-005-0047-1