Discovery of novel HIV-1 reverse transcriptase inhibitors using a combination of 3D database searching and 3D QSAR

Authors
Zaharevitz, DW Gussio, R Wiegand, A Jalluri, R Pattabiraman, N Kellogg, GE Pallansch, LA Yang, SS Buckheit, RW
Citation
Dw. Zaharevitz et al., Discovery of novel HIV-1 reverse transcriptase inhibitors using a combination of 3D database searching and 3D QSAR, MED CHEM RE, 9(7-8), 1999, pp. 551-564
Citations number
24
Categorie Soggetti
Chemistry & Analysis
Journal title
MEDICINAL CHEMISTRY RESEARCH
ISSN journal
10542523 → ACNP
Volume
9
Issue
7-8
Year of publication
1999
Pages
551 - 564
Database
ISI
SICI code
1054-2523(1999)9:7-8<551:DONHRT>2.0.ZU;2-O
Abstract
3D searches in a database of over 100,000 compounds were followed by evalua tions of hits in a 3D QSAR model for the non-nucleoside binding site of HIV -1 reverse transcriptase. The procedure resulted in the identification of a set of novel and structurally diverse inhibitors and required testing of o nly 225 compounds.