SKRINING TARGET MOLEKULER KANDUNGAN KIMIA AKAR MANIS (Glycyrrhiza glabra L.) TERHADAP TARGET TERAPI VIRUS CORONA METODE DOCKING MOLEKULER

Anggraeni, Septiana Aulia (2020) SKRINING TARGET MOLEKULER KANDUNGAN KIMIA AKAR MANIS (Glycyrrhiza glabra L.) TERHADAP TARGET TERAPI VIRUS CORONA METODE DOCKING MOLEKULER. Skripsi thesis, Universitas Setia Budi.

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Abstract

Coronavirus disease 2019 (COVID-19) was a disease caused by a virus that infects cells in the airways that line the alveoli. The molecular targets that have been studied were papain like protease (PLpro) and 3-chymotrypsin like protease (3CLpro). Previous studies reported that licorice root can stimulate the secretion of IFN-β which had antiviral activity. This study aimed to determine the content of compounds in licorice root against the target of corona virus therapy and to predict the pharmacokinetic profile of the selected compounds based on the results of molecular docking. The method used in this research is molecular docking. Preparation of test ligands from compounds contained in liquorice plants using MarvinSkecth and VegaZZ, preparation of target proteins using AutodockTools, validation of ligands and target proteins using Autodock 4, visualization of docking results using Discovery Studio then the best docking results were tested, and pharmacokinetic profile using ADMETLab. The results showed that compounds from licorice root had good activity against the target protein 3CLpro and PLpro. The interaction formed from the content of licorice compounds against 3CLpro protein to form amino acid bonds similar to the test ligand is the prenyllicoflavone A compound, while in the PLpro protein the best compound whose interaction is similar to the original ligand is shinflavanone. Based on the ADME profile analysis, the five compounds produced various values, but were still in a good range. The compound with the best pharmacokinetic profile was beta sitosterol. Keyword : Coronavirus; licorice; docking molekuler

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Coronavirus; licorice; docking molekuler
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	16 Jun 2022 07:20
Last Modified:	16 Jun 2022 07:20
URI:	http://repo.setiabudi.ac.id/id/eprint/4875

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