- 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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