Docking of anti-HIV-1 oxoquinoline-acylhydrazone derivatives as potential HSV-1 DNA polymerase inhibitors

Julliane Diniz Yoneda,Magaly Girão Albuquerque,Kátia Zaccur Leal,Fernanda da Costa Santos,Pedro Netto Batalha, Leonardo Brozeguini,Peter R. Seidl,Ricardo Bicca de Alencastro, Anna Cláudia Cunha,Maria Cecília B.V. de Souza,Vitor F. Ferreira,Viveca A. Giongo,Cláudio Cirne-Santos,Izabel C.P. Paixão

Journal of Molecular Structure（2014）

引用 10|浏览30

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摘要

In this work, we use molecular modeling simulations, such as molecular docking, in order to rationalize structural modifications which should increase the anti-HSV-1 activity of a ribonucleoside containing the 1,4-dihydro-4-oxoquinoline heterocyclic moiety.

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关键词

Acylhydrazone,Dual antiviral agents,Docking,HIV-1,HSV-1,Molecular modeling

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