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- Title
HIV Inhibitor Activity Prognosis Refined Taking Into Account the Drug Conformation at the Active Center of Enzyme.
- Authors
Burlyaeva, E. V.; Komardin, P. V.; Yurkevich, A. M.; Shvets, V. I.
- Abstract
Describes the application of a combined approach to establishing quantitative structure-activity relationships (QSARs) and predicting the activity of some nucleoside inhibitors of reverse transcriptase of type 1 HIV. Molecular structure and activity of tetrahydroimidazo-(4,5,1-1-jk)(1,4)-benzodiazepin-2(1h)-one (TIBO) derivatives; Rules for selecting the active conformations of TIBO derivatives; Comparison of the initial and refined QSAR models.
- Subjects
QSAR models; STRUCTURE-activity relationships; REVERSE transcriptase; HIV; PHARMACEUTICAL chemistry; PHARMACOLOGY
- Publication
Pharmaceutical Chemistry Journal, 2003, Vol 37, Issue 9, p460
- ISSN
0091-150X
- Publication type
Article
- DOI
10.1023/B:PHAC.0000008244.79459.ae