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All Journal Computational and Experimental Research in Materials and Renewable Energy (CERiMRE) Indonesian Chimica Letters
Sunnardianto, Gagus Ketut
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Chemistry Computer Science & IT Energy Materials Science & Nanotechnology Physics

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Molecular Docking Study: Identification of Potential Inhibitors in Lavandula Angustifolia Essential Oil Against the Main Protease of Sars-Cov-2 Sahiroh, Samakhatus; Sulisti, Wahyu; Sunnardianto, Gagus Ketut; Setiadipura, Topan; Kharomah, Iklimatul
Computational And Experimental Research In Materials And Renewable Energy Vol 6 No 1 (2023): May
Publisher : Physics Department, Faculty of Mathematics and Natural Sciences, University of Jember

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.19184/cerimre.v6i1.43190

Abstract

SARS-CoV-2, also known as, Covid-19 is an almost globally endemic disease that has infected hundreds of millions of people and caused ongoing deaths. Researchers are still trying to search for effective drugs against Covid-19. Currently, with the development of science and technology, the process of drug discovery through simulated environments is becoming increasingly accurate and yielding rapid results. The protease crystal structure of Covid-19 plays a crucial role in viral replication and represents promising primary targets for antiviral drug discovery and therapy. Lavender and N3 compound ligands were used as test ligands. A total of 9 lavender ligand compounds were subjected to testing using the molecular docking method. Molecular docking aims to achieve the optimal conformation of both the protein and ligand, as well as the relative orientation between them. The analysis conducted during molecular docking includes the determination of the inhibition constant and the study of interactions between the protein and ligand.Keywords: Covid-19, docking, N3, ligand
Solid State Transformation of TiO2 Rutile and its Photocatalytic Activity Sulistiyo, Yudi Aris; Kamila, Wilda; Andarini, Novita; Suwardiyanto, Suwardiyanto; Sunnardianto, Gagus Ketut; Haryati, Tanti
Indonesian Chimica Letters Vol. 1 No. 2 (2022)
Publisher : Department of Chemistry, Faculty of Mathematics and Natural Sciences, University of Jember

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (716.495 KB) | DOI: 10.19184/icl.v1i2.205

Abstract

Transformation phase TiO2 Rutile was conducted to improve the photocatalytic activity. This study evaluated the transformation phase of TiO2 rutil using solid state rection method and tested for gycerol conversion reaction. a semiconductor material that can be applied for glycerol conversion. The solid state reaction using a mixture of TiO2 Rutile and sodium titanate in mole rasio 1:4 that was heated in 750 oC. XRD analysis evaluated the transformation phase of the solid state reaction product, while band gap energi was calculated following UV-Vis diffuse reflectance data. The photoactivity of glycerol was exposed by UV-Light in various time (5, 10, 15 h) that of the liquid product was analyzed by gas chromatography. Solid state reaction transformed TiO2 rutil to polymorph structure (TiO2 rutile, TiO2 anatase, and sodium titanate Na4O12Ti5). The band gap energy of the product was 3.2 eV. The optimum photocatalytic activity was 62.7% in glycerol concentration 0.25 M for 15 h time reaction.
Co-Authors Kamila, Wilda Kharomah, Iklimatul Novita Andarini Sahiroh, Samakhatus Sulisti, Wahyu Suwardiyanto Suwardiyanto Tanti Haryati Topan Setiadipura, Topan Yudi Aris Sulistiyo, Yudi Aris