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

Ade Arsianti; Anton Bahtiar; Surya Dwira; Dadan Ramadhan Apriyanto

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 journal › Article › peer-review

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 language	English
Pages (from-to)	11-117
Journal	International Journal of ChemTech Research
Volume	10
Issue number	3
Publication status	Published - 1 Dec 2017

Keywords

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

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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Cite this

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title = "In Silico Study of Gallic Acid Derivatives as Novel Antiviral Agents of Hepatitis C",

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.",

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AU - Arsianti, Ade

AU - Fadilah, null

AU - Bahtiar, Anton

AU - Dwira, Surya

AU - Apriyanto, Dadan Ramadhan

PY - 2017/12/1

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N2 - 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.

AB - 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.

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M3 - Article

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JO - International Journal of ChemTech Research

JF - International Journal of ChemTech Research

IS - 3

ER -

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

Abstract

Keywords

UN SDGs

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