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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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.
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