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dc.contributor.authorMeilin Gholam, Gusnia-
dc.contributor.authorLuthfia, Mustika-
dc.contributor.authorAkhyar Firdausy, , Iman-
dc.date.accessioned2024-11-08T01:56:42Z-
dc.date.available2024-11-08T01:56:42Z-
dc.date.issued2023-04-30-
dc.identifier.issn25808303-
dc.identifier.urihttp://localhost:8080/xmlui/handle/123456789/7542-
dc.description.abstractAbstract 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 ligandreceptor 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, NS5Ben_US
dc.publisherFaculty of Pharmacy Univesrsitas Airlanggaen_US
dc.subjectbioactive compound,en_US
dc.subjecthepatitis c virus,en_US
dc.subjectmango,en_US
dc.subjectmolecular docking,en_US
dc.subjectNS5Ben_US
dc.titleMolecular Docking: Bioactive Compounds in Indramayu Mango (Mangifera indica L.) Peel Waste as NS5B Hepatitis C Virus (HCV) Inhibitoren_US
dc.typeArticleen_US
Appears in Collections:VOL 10 NO 1 2023

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