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All Journal JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Jurnal Farmasi Indonesia International Journal of Contemporary Sciences (IJCS)
NURAINI HARMASTUTI
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Religion Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Decision Sciences, Operations Research & Management Education Health Professions Immunology & microbiology Medicine & Pharmacology Other

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Uji Sitotoksik Fraksi n-Heksana, Etil Asetat, Etanol dari Ekstrak Etanolik Daun Ende (Coccinia grandis (L.) Voigt) pada Sel HeLa NURAINI HARMASTUTI; GUNAWAN PAMUDJI WIDODO; MARIA E.D.O. HUREK MAKING; MARIA YANGSYE LENGGU; FEOLISTIN MIENCE POBAS
Jurnal Farmasi Indonesia Vol 9 No 1 (2012): Jurnal Farmasi Indonesia
Publisher : Fakultas Farmasi Universitas Setia Budi

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1009.178 KB) | DOI: 10.31001/jfi.v9i1.725

Abstract

Ende leaf (Coccinia grandis (L.) Voigt) is the one of plant that most popular in Nusa Tenggara Timur province. The study was aimed to know the cytotoxic effect of n-hexane, ethyl acetate, and ethanol fractions from ethanolic extract of ende leaf on hela cell and its IC50 value. Dried ende was macerated with 96 % ethanol solvent, then it was fractionated by n-hexane, ethyl acetate, and ethanol solvent. Then it was tested the cytotoxic by MTT (Microculture Tetrazolium Salt) method on HeLa cell The absorbance response was converted into abbreviation of cell viability. IC50 value was calculated with linear regression equation between logarithm of concentration samples versus percentage viability of HeLa cell. The result showed that the cytotoxic test of ende leaf against HeLa cell presented the IC50 value of ethanolic extract and n-hexane, ethyl acetate, and ethanol fractions were 415.719 ppm; 307.142 ppm; 50303.71 ppm; dan 50722.424 ppm, respectively.
Anchoring Analysis and Simulation of Molecular Dynamics of Dayak Onion Plant Compounds (Eleutherine bulbosa (Mill.) URB.) As an Antibacterial Candidate for Methicillin Resistant Staphylococcus aureus Pratamaa, Yuga; Rina Herowati; Nuraini Harmastuti; Andri Prasetiyo
International Journal of Contemporary Sciences (IJCS) Vol. 1 No. 3 (2024): January 2024
Publisher : PT FORMOSA CENDEKIA GLOBAL

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.55927/ijcs.v2i1.8334

Abstract

MRSA infection that is growing and limited treatment is evidence that the handling and treatment of the disease is still inadequate so that appropriate drugs are needed as antibacterial against MRSA, the development of natural products, one of which is the dayak onion plant (Eleutherine bulbosa) which has the potential as antibacterial can be done with computational methods, one of which is molecular tethering, molecular dynamics and ADMET prediction. This study aims to predict the ability of natural compounds from dayak onions as antibacterial MRSA. Tethering and molecular dynamics are performed using AutoDock 4.2 and Yasara Dynamic software. The results showed that compounds with the greatest antibacterial potential were eleucanainones with binding energy of -11.91kcal / mol. The results of molecular tethering are then continued with molecular dynamics simulations. The results of molecular dynamics simulations show that the compound has a Root Mean Square Deviation (RMSD) value that is close to the native ligand. Conclusion: Dayak onion compounds (Eleutherine bulbosa) have potential as antibacterial MRSA
Analysis of Molecular Docking and Dynamics Simulation of Mahogany (Swietenia macrophylla King) Compounds Against the PLpro Enzyme SARS-COV-2 Lalu Sanik Wahyu Fadil Amrulloh; Nuraini Harmastuti; Andri Prasetiyo; Rina Herowati
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 10 No. 3 (2023): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v10i32023.347-359

Abstract

Background: Using natural ingredients as antivirals can be considered a treatment for SARS-CoV-2. One of the potential plants, mahogany (Swietenia macrophylla King), is widely used in various countries as an antiviral treatment. Paparin-like protease (PLpro) is an essential cysteine "‹"‹protease that regulates viral replication and interferes with the regulation of immune sensing. Objective: This study aims to predict which compounds in the mahogany plant have good affinity, patterns, and stability interaction against the target protein of SARS-CoV-2. Methods: The drug-likeness parameter using SwissADME was used to screen compounds that will be docked against PLpro using the Autodock program. The parameters observed in molecular docking analysis are the value of bond energy and interaction model to amino acid residues. The compounds in mahogany plants that have the best interactions were then analyzed using molecular dynamics simulation methods to determine the stability of their bonds based on the values of Root Mean Square Deviation (RMSD) and Root Mean Square Fluctuation (RMSF). Results: Twenty-two compounds met the drug-likeness requirements. Molecular docking analysis showed that the compounds predicted to have the best binding affinity and have an interaction pattern similar to natural ligands towards the molecular target of PLpro are 7-deacetoxy-7-oxogedunin and 3β-hydroxy-stigmast-5-en-7-one. The molecular dynamics simulation results revealed that based on the RMSD and RMSF values, the compound 3β-hydroxy-stigmast-5-en-7-one showed higher stability than 7-deacetoxy-7-oxogedunin. Conclusion: 3β-hydroxy-stigmast-5-en-7-one and 7-deacetoxy-7-oxogedunin were predicted to have good interaction with PLPro; however, 3β-hydroxy-stigmast-5-en-7-one showed the higher interaction stability.
Co-Authors Andri Prasetiyo FEOLISTIN MIENCE POBAS Gunawan Pamudji Widodo Lalu Sanik Wahyu Fadil Amrulloh MARIA E.D.O. HUREK MAKING MARIA YANGSYE LENGGU Pratamaa, Yuga R, Herowati