Jurnal Farmasi dan Ilmu Kefarmasian Indonesia (JFIKI) Vol. 10 No. 1 (2023)

Title	Jurnal Farmasi dan Ilmu Kefarmasian Indonesia (JFIKI) Vol. 10 No. 1 (2023)
Edition	Vol. 10 No. 1 (2023)
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ISBN/ISSN
Author(s)
Subject(s)	Bioactive Compound Hepatitis C Virus
Classification
Series Title
GMD	Karya Tulis Ilmiah
Language	Indonesia
Publisher	Universitas Airlangga
Publishing Year	2023
Publishing Place	Surabaya
Collation
Abstract/Notes	Abstract Background: Hepatitis C is caused by hepatitis C virus (HCV) infection. HCV infection is one of the biggest causes of chronic liver disease. About 60-80% of patients with acute hepatitis C will develop chronic hepatitis C. Objective: This study aimed to analyze the potential of mango peel compounds as HCV NS5B inhibitors. Methods: The methods in this study are ligand preparation, physicochemical and pharmacokinetic predictions, protein structure preparation, molecular docking, data analysis, and visualization. Results: The results showed that the test ligands had binding free energies close to the reference ligands, namely Mangiferin -7.862 kcal/mol and respectively D-(+)-Maltose -6.453 kcal/mol, Dibutyl – phthalate -6.326 kcal/mol, bis-β-D-fructofuranose 1,2':2,3'-dianhydride -6.249 kcal/mol, 16-Heptadecyne-1,2,4-triol -5.476 kcal/mol, 3,4,5-trihydroxycyclohex-1- ene-1-carboxylic acid -5,360 kcal/mol, Trigonelline -4.905 kcal/mol, Hexitol -4.552 kcal/mol, α-Glucoheptitol - 4.403 kcal/mol. All the test ligands bind the NS5B active site with hydrogen bonds. Furthermore, the ligand- receptor complex has a dissociation constant value and hydrogen bond length. Conclusion: The results showed that Mangiferin was the most potential ligand in inhibiting NS5B HCV of all the test ligands used. Keywords: bioactive compound, hepatitis c virus, mango, molecular docking, NS5B
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