Computer-assisted design, synthesis and biological evaluation of novel pyrrolyl heteroaryl sulfones targeted at HIV-1 reverse transcriptase as non-nucleoside inhibitors

Authors
Silvestri, R Artico, M De Martino, G Novellino, E Greco, G Lavecchia, A Massa, S Loi, AG Doratiotto, S La Colla, P
Citation
R. Silvestri et al., Computer-assisted design, synthesis and biological evaluation of novel pyrrolyl heteroaryl sulfones targeted at HIV-1 reverse transcriptase as non-nucleoside inhibitors, BIO MED CH, 8(9), 2000, pp. 2305-2309
Citations number
17
Categorie Soggetti
Chemistry & Analysis
Journal title
BIOORGANIC & MEDICINAL CHEMISTRY
ISSN journal
09680896 → ACNP
Volume
8
Issue
9
Year of publication
2000
Pages
2305 - 2309
Database
ISI
SICI code
0968-0896(200009)8:9<2305:CDSABE>2.0.ZU;2-3
Abstract
Three pyrrolyl heteroaryl sulfones (ethyl 1-[(1H-benzimidazol-2(3H)one-5-yl )sulfonyl] ethyl 1-[(1H-benzimidazol-5(6)-yl)sulfonyl]-1H-pyrrole-2-carboxy late and ethyl 1-[(1H-benzotriazol-5(6)-yl)sulfonyl]-1H-pyrrole-2-carboxyla te) were designed as novel HIV-1 reverse transcriptase non-nucleoside inhib itors using structure-based computational methods. Although these compounds were inactive in the cell-based assay, they inhibited the target enzyme wi th micromolar potency (IC(50)s = 2 mu M, 3 mu M and 9 mu M, respectively), (C) 2000 Elsevier Science Ltd. All rights reserved.