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Design, synthesis, and preliminary in vitro and in silico antiviral activity of [4,7]phenantrolines and 1-oxo-1,4-dihydro-[4,7]phenantrolines against single-stranded positive-sense RNA genome viruses

Carta, Antonio and Loriga, Mario and Paglietti, Giuseppe and Ferrone, Marco and Fermeglia, Maurizio and Pricl, Sabrina and Sanna, Tiziana and Ibba, Cristina and La Colla, Paolo and Loddo, Roberta (2007) Design, synthesis, and preliminary in vitro and in silico antiviral activity of [4,7]phenantrolines and 1-oxo-1,4-dihydro-[4,7]phenantrolines against single-stranded positive-sense RNA genome viruses. Bioorganic & Medicinal Chemistry, Vol. 15 (5), p. 1914-1927. ISSN 0968-0896. Article.

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DOI: 10.1016/j.bmc.2007.01.005

Abstract

Following the antiviral screening of a wide series of new angular and linear N-tricyclic systems both in silico and in vitro, the [4,7]phenantroline nucleus emerged as a new ring system endowed with activity against viruses containing single-stranded, positive-sense RNA genomes (ssRNA+). Here, we report our new pathway to the synthesis of this nucleus and of several related derivatives, as well as the results of both cell-based antiviral assays and molecular dynamics simulations. In the antiviral screening, several compounds (9 and 16–20) showed to be fairly active against BVDV, CVB-2, and Polio 1 (EC50, 6–25 μM). According to molecular dynamics simulations, compounds (15) and (17) emerged for its potency against the HCV NS5B, with a calculated IC50 of 11–12 μM.

Item Type:Article
ID Code:517
Status:Published
Refereed:Yes
Uncontrolled Keywords:[4,7]Phenantrolines, ssRNA+, RNA-dependent RNA-polymerase, HCV NS5B, pestiviruses, flaviviruses, enteroviruses, molecular dynamics simulations
Subjects:Area 03 - Scienze chimiche > CHIM/08 Chimica farmaceutica
Divisions:001 Università di Sassari > 01 Dipartimenti > Farmaco, chimico, tossicologico
Publisher:Pergamon-Elsevier Science
ISSN:0968-0896
Copyright Holders:© 2007 Elsevier Science
Deposited On:18 Aug 2009 10:02

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