In Silico Study of Gallic Acid Derivatives as Novel Antiviral Agents of Hepatitis C

Ade Arsianti, Fadilah, Anton Bahtiar, Surya Dwira, Dadan Ramadhan Apriyanto

Research output: Contribution to journalArticle

Abstract

In this paper, we report in silico study of gallic acid derivativesas novel antihepatitis C virus agents. The derivatives were designed by expanding the carboxyl group of gallic acid with open-chain moiety of L-threonine-allyl esters, as well as to modify the hydroxy groups on the aromatic ring of gallic acid with methoxy group in the derivatives. Designed compounds and the original gallic acid were docked based on their interaction with hepatitis C virus receptor binding target NS5B. Compared to gallic acid, all the twenty designed compounds, exhibited higher binding energy, affinity, and hydrogen bond interaction on receptor target of NS5B, indicating that the designed compounds have a stronger inhibitory activity against NS5B.
Original languageEnglish
Pages (from-to)11-117
JournalInternational Journal of ChemTech Research
Volume10
Issue number3
Publication statusPublished - 1 Dec 2017

Keywords

  • In silico docking, Gallic acid, Stereocentre derivative, Antiviral, Hepatitis C

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