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INDONESIA
JURNAL KIMIA SAINS DAN APLIKASI
Published by Universitas Diponegoro
ISSN : 14108917     EISSN : 25979914     DOI : -
Core Subject : Science, Engineering,
Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering
urnal Kimia Sains dan Aplikasi (p-ISSN: 1410-8917) and e-ISSN: 2597-9914) is published by Department of Chemistry, Diponegoro University. This journal is published four times per year and publishes research, review and short communication in field of Chemistry.
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Articles 5 Documents
 1 
Search results for , issue "Vol 26, No 5 (2023): Volume 26 Issue 5 Year 2023" : 5 Documents clear
The potential of Myricitrin, a Flavonoid Compound in Eugenia polyantha from Indonesia, as an Antiviral Drug for SARS-Cov-2 through the Molecular Docking Analysis Syamsul Falah; Laksmi Ambarsari; Dimas Andrianto; Rini Kurniasih; Sanro Tachibana
Jurnal Kimia Sains dan Aplikasi Vol 26, No 5 (2023): Volume 26 Issue 5 Year 2023
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.26.5.166-177

Abstract

A Flavonoid glycoside compound, isolated and identified from E. polyantha as myricitrin, was analyzed as a ligand for its molecular binding activity against SARS-CoV-2 protein (receptor binding domain on Spike/RBD, main protease/nsp5, EndoRNAse, RNA-dependent-RNA-polymerase/RdRp), and its receptor, ACE2, and computationally assessed via molecular docking method. This study aims to determine the potential of myricitrin in E. polyantha from Indonesia as an antiviral drug for SARS-CoV-2 through molecular docking and molecular dynamic simulation analysis. The results showed that the myricitrin had the strongest binding affinity energy towards the three important SARS-CoV-2 proteins, namely endoRNAse, main protease (3CLpro), and RdRp with ∆G values of −9.60 kcal/mol, −8.40 kcal/mol, and −8.30 kcal/mol, respectively. These values are stronger than the comparator ligands of favipiravir (−5.60 kcal/mol), atazanavir (−7.20 kcal/mol), and remdesivir (−7.70 kcal/mol). This indicated that the compound has the potential as an inhibitor against 3CLpro, endoRNAse, and RdRp of SARS-CoV-2 proteins. This result was supported by the prediction made according to the Molprobity and PASS Online web servers, which showed that myricitrin has high bioactivity potential as an enzyme inhibitor (with a score of 0.38) and antiviral (with a score of 0.704).
Thin Layer Chromatography Fingerprint Analysis of Tempuyung (Sonchus arvensis L.) Sri Fauziah; Puput Melati; Ade Heri Mulyati; Mohamad Rafi; Eti Rohaeti
Jurnal Kimia Sains dan Aplikasi Vol 26, No 5 (2023): Volume 26 Issue 5 Year 2023
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.26.5.187-193

Abstract

Thin layer chromatography (TLC) fingerprint profile analysis can be used for quality control of herbal medicinal raw materials through identification, authentication, and discrimination. This study aims to develop a fingerprint analysis method for tempuyung TLC (Sonchus arvensis L.), which is then used for quality control. Tempuyung was extracted with methanol using ultrasonication which was then analyzed using the developed fingerprint TLC method. The optimum mobile phase used to separate compounds from tempuyung was a composition of chloroform: ethyl acetate: dichloromethane: formic acid (7.5:2:0.5:0.1) and produced eleven bands. The mobile phase composition produced good separation and had a typical luteolin band with an Rf value of 0.22, detected under UV 366 nm and derivatized with 10% sulfuric acid reagent. This method was applied to tempuyung from three locations, including Malang, Solo, and Yogyakarta, whose fingerprint patterns did not differ significantly. The fingerprint method has been validated and met the acceptance requirements for quality control of tempuyung.
Synthesis of Molecularly Imprinted Membrane Glucose for Selective Membrane Transport Muhammad Cholid Djunaidi; Henita Saulia Utari; Khabibi Khabibi
Jurnal Kimia Sains dan Aplikasi Vol 26, No 5 (2023): Volume 26 Issue 5 Year 2023
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.26.5.178-186

Abstract

Molecularly Imprinted Membrane (MIM) was synthesized using polyeugenoxy acetic acid as the functional polymer, polyethylene glycol as the crosslinker agent, and polysulfone as a base membrane which was applied as a selective glucose membrane transport, and the immersion time expected to determine the transport capability of the membrane. This study aimed to determine the selectivity and transport properties of the MIM and NIM membranes. NIM was used as a control for MIM to research the selectivity test. In comparison, MIM has a template, while NIM is without a template. In this study, eugenol derivatives were synthesized through a polymerization reaction using a BF3-diethylether catalyst polymerized for 16 hours to produce polyeugenoxy acetic acid (PA). The PA was contacted with 7500 ppm glucose. PA-glucose produced an imprinted membrane, while PA produced a non-imprinted membrane. The membrane thickness was measured with a micrometer, resulting in a measurement range of 0.08–0.10 mm. The best transport result was achieved at the membrane passage of 24 hours of immersion time because the effect of membrane immersion time can increase the porosity, hydrophilicity, and membrane’s transport ability. Transport with MIM membrane shows better and more selective results than NIM. This confirms the existence of a glucose template on the MIM membrane, which causes the MIM membrane to recognize glucose and transport glucose better than fructose. This study’s advantages include learning how immersion time affects membrane production and determining how well MIM and NIM membranes transport and select glucose and fructose. Furthermore, membrane characterizations were done using FTIR to identify functional groups, SEM-EDX to analyze the shape of the membrane, and a UV-Vis spectrophotometer to analyze the membrane’s selectivity and transport capabilities.
Biosensor based on Cellulose Acetate/Glutaraldehyde Membrane Electrodes for detection of organophosphorus pesticides Mashuni Mashuni; Fitri Handayani Hamid; M Jahiding; Andi Muhammad Naufal Khaeri
Jurnal Kimia Sains dan Aplikasi Vol 26, No 5 (2023): Volume 26 Issue 5 Year 2023
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.26.5.160-165

Abstract

In recent years, sensor applications have been critical in many fields, especially food safety and pesticides. Organophosphorus pesticides (OPPs) can be detected using a potentiometric biosensor with a membrane electrode made of a new natural material based on cellulose acetate (CA). Acetylcholinesterase was immobilized to 15% modified CA membrane electrodes using glutaraldehyde (GTA) as crosslinking agent and gold (Au) electrode. An indirect method used an acetylthiocholine chloride (ATCl) substrate to find OPPs like chlorpyrifos, profenophos, and diazinon. The working electrode was an CA/GTA membrane electrode, and the reference electrode was an Ag/AgCl electrode, whose potential value was measured with a potentiometer. The surface morphology of the biosensor membrane was investigated using scanning electron microscopy with energy-dispersive X-ray spectroscopy (SEM/EDX). It showed that the CA membrane has a smooth, porous surface and is very dense, and its structure consists of 71.27% carbon (C) and 28.73% oxygen (O) with an average diameter of 562.33 nm. A potentiometric biosensor based on AChE inhibition for the detection of OPPs showed a limit of detection (LoD) of 1×10−6 μg/L with a linearity range of 1×10−6–1.0 μg/L. The %inhibition value for the chlorpyrifos pesticide was 14.44 to 73.08%, profenophos was 11.98 to 77.98%, and diazinon was 18.58 to 83.27%. Therefore, higher inhibitor concentrations (OPPs) have a greater ability to prevent the AChE enzyme from breaking down the acetylcholine substrate. The biosensor with the CA membrane has a wide linearity range and a low detection limit. The potentiometer rapidly detects pesticide residues.
Molecular Docking of Active Compounds of Syzygium myrtifolium Walp. Leaves on Leukotriene A4 Hydrolase Receptors as Colorectal Anticancer Daini Amanah; Rosario Trijuliamos Manalu; Munawarohthus Sholikha; Vilya Syafriana; Yasman Yasman
Jurnal Kimia Sains dan Aplikasi Vol 26, No 5 (2023): Volume 26 Issue 5 Year 2023
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.26.5.194-203

Abstract

Active compounds found in Syzygium myrtifolium Walp. leaves such as flavonoids, phenolics, and betulinic acid are known to have pharmacological activities. This research aimed to find active compounds found in Syzygium myrtifolium Walp. leaves, which have anticancer activity by inhibiting the protein leukotriene A4 hydrolase. Molecular docking methods are used to predict the activity and affinity between ligand-proteins. The research was conducted in silico on the active compound in Syzygium myrtifolium Walp. leaves, which met the five criteria of Lipinski’s rule for leukotriene A4 hydrolase with PDB code 3U9W. The software used were YASARA, MarvinSketch, and PLANTS, which can optimize ligands and bind ligand molecules to receptors. Then it was visualized using Discovery Studio Visualizer and analyzed the prediction of pharmacokinetics and toxicity. Docking results show that the four active compounds from the leaves of Syzygium myrtifolium Walp., namely bis (2-ethylhexyl) hexanedioate, 3-octadecyne, 1- octadecene, and (2E,6E)-farnesol have a lower docking score compared to bestatin; therefore, these four compounds have the potential to inhibit leukotriene A4 hydrolase receptors and can be candidates for colorectal anticancer compounds.

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