The Open Bioactive Compounds Journal


ISSN: 1874-8473 ― Volume 8, 2020

Non-Intercalative Triterpenoid Inhibitors of Topoisomerase II: A Molecular Docking Study

William N. Setzer*
Department of Chemistry, University of Alabama in Huntsville, Huntsville, AL 35899, USA


Theoretical flexible docking studies were carried out on a number of triterpenoids previously shown to be inhibitors of topoisomerase II in order to assess the nature of binding of these non-intercalative inhibitors to the enzyme. The molecular docking results suggest that most of the triterpenoids preferentially bind to the DNA binding site of topoisomerase II, while a few also bind to the ATP binding site. These results provide some insight into the mode of activity of these cytotoxic natural products.

Article Information

Identifiers and Pagination:

Year: 2008
Volume: 1
First Page: 13
Last Page: 17
Publisher Id: TOBCJ-1-13
DOI: 10.2174/1874847300801010013

Article History:

Received Date: 17/4/2008
Revision Received Date: 9/5/2008
Acceptance Date: 29/5/2008
Electronic publication date: 10/07/2008
Collection year: 2008

© William N. Setzer; Licensee Bentham Open.

open-access license: This is an open access article distributed under the terms of the Creative Commons Attribution License (, which permits unrestrictive use, distribution, and reproduction in any medium, provided the original work is properly cited.

* Address correspondence to this author at the Department of Chemistry, University of Alabama in Huntsville, Huntsville, AL 35899, USA; Tel: 256-824-6519; Fax: 256-824-6349; E-mail:

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