STUDI BIOKEMOINFORMATIKA KANDUNGAN KIMIA DAUN INGGU (Ruta angustifolia L.) TERHADAP TARGET TERAPI HEPATITIS C

Soviana, Fenny Febriyanti (2021) STUDI BIOKEMOINFORMATIKA KANDUNGAN KIMIA DAUN INGGU (Ruta angustifolia L.) TERHADAP TARGET TERAPI HEPATITIS C. Skripsi thesis, Universitas Setia Budi.

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Abstract

Hepatitis is a major health problem in the world. Hepatitis C is an inflammation of the liver caused by the hepatitis C virus (HCV). Extract inggu leaves has been shown to be activity against HCV. The purpose of this research to predict the molecular target of the chemical content of inggu leaves, predict which compounds had good interaction with the molecular target of antihepatitis C and predict the pharmacokinetic parameters from the chemical content of inggu leaves. Six active compounds from inggu leaves were identified using the Swiss target prediction database and SEA search to predict the molecular targets according to hepatitis C pathway of human species. Furthermore, target macromolecules were analyzed by molecular anchoring method using AutoDock tools and then performed pharmacokinetic prediction using SwissADME to assess the quality of potential clinical candidates for new drugs. The overall results of the identification using the two databases resulted in nine molecular targets and three target proteins from HCV that have a mechanism of action against each compound. Based on the results of docking molecular, it is predicted that the potential molecular targets for the chemical content of inggu leaves are EGFR, CDK4, CDK2, GSK3B, CASP3, NS3-4A and NS5A with compounds predicted to interact with molecular targets namely chalepin, scopoletin, γ-fagarin, arborinin, kokusaginin and 2-nonyl-4-hydroxyquinoline. ADME predictions indicate that chalepin has an excellent pharmacokinetic profile which has the ability to penetrate the blood brain barrier. Keywords : antihepatitis C, Ruta angustifolia L, biochemoinformatics, SwissADME

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	antihepatitis C, Ruta angustifolia L, biochemoinformatics, SwissADME
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	21 Jul 2022 03:59
Last Modified:	21 Jul 2022 03:59
URI:	http://repo.setiabudi.ac.id/id/eprint/4976

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