期刊
JOURNAL OF MOLECULAR GRAPHICS & MODELLING
卷 21, 期 5, 页码 365-373出版社
ELSEVIER SCIENCE INC
DOI: 10.1016/S1093-3263(02)00183-3
关键词
gossypol; pharmacophores; database searching; reverse transcriptase
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. (C) 2002 Elsevier Science Inc. All rights reserved.
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