Novel pharmacophore-based methods reveal gossypol as a reverse transcriptase inhibitor

Title: Novel pharmacophore-based methods reveal gossypol as a reverse transcriptase inhibitor
Creator: Keller, Paul A.; Birch, Chris; Leach, Scott P.; Tyssen, David; Griffith, Renate
Relation: Journal of Molecular Graphics & Modelling Vol. 21, Issue 5, p. 365-373
Publisher Link: http://dx.doi.org/10.1016/S1093-3263(02)00183-3
Publisher: Elsevier Science Inc
Resource Type: journal article
Date: 2003
Description: In a program to identify new structural entities for the inhibition of the HIV-1 reverse transcriptase (RT) enzyme via database searching, a series of RT pharmacophores were developed. By utilising a novel filtering technique, the National Cancer Institute database of compounds was scanned producing 15 compounds to be screened for activity. A notable inclusion was a series of gossypol derivatives. The testing of a series of compounds revealed the parent compound gossypol to be an HIV-1 reverse transcriptase inhibitor. These results suggest that at least a part of its anti-HIV activity is due to gossypol targeting the non-nucleoside inhibitor binding pocket of RT.
Subject: gossypol; pharmacophores; database searching; reverse transcriptase
Identifier: uon:3031
Identifier: http://hdl.handle.net/1959.13/32406
Identifier: ISSN:1093-3263
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