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All Journal Chemistry Indonesian Journal of Chemical Research MAGNA MEDICA: Berkala Ilmiah Kedokteran dan Kesehatan
Putra, Andifa Anugerah
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Biochemistry, Genetics & Molecular Biology Chemistry Engineering Environmental Science Health Professions Immunology & microbiology Medicine & Pharmacology Public Health

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Structural and Molecular Dynamics Investigation of Bacterial and Fungal Xylanases Komari, Noer; Sanjaya, Rahmat Eko; Putra, Andifa Anugerah; Putri, Amaris Nathania Hanindia; Febriyanti, Nur Fatma
Indonesian Journal of Chemical Research Vol 12 No 1 (2024): Edition for May 2024
Publisher : Jurusan Kimia, Fakultas Sains dan Teknologi, Universitas Pattimura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.30598/ijcr.2024.12-kom

Abstract

Xylanase is a type of enzyme that hydrolyzed of β-1,4 glycosidic bonds in xylan, breaking it down into its constituent monomers. Xylanolytic enzymes are pivotal in processes such as bio-bleaching of pulp, textile manufacturing, and the recycling of waste paper. Successful bioconversion of xylan or lignocellulose relies on the collaborative action of various xylanolytic enzymes, including endo-xylanase, β-xylosidase, and other accessory enzymes. Docking simulations using Auto Dock 4.2 were conducted to analyze the interaction between ligands and xylanase, utilizing PDB 1B3V and 1FCE. Ligand interaction with xylanase was further investigated through molecular dynamics. The xylanase from Penicillium simplicissimum (PDB 1B3V) exhibited comparable affinities for α-D-xylopyranose and β-D-xylopyranose. In contrast, the xylanase from Clostridium cellulolyticum (PDB 1FCE) demonstrated a stronger affinity for β-D-glucopyranose than for 4-thiouridine. Molecular dynamic investigations indicated the stability of both structures against the tested ligands. These findings provide a foundation for potential experimental validations and the application of molecular mechanics techniques. Such approaches could unveil the detailed catalytic mechanism and bolster the industrial efficacy of the enzyme.
Mineral and Insilico Study of Sapat Siam Fish (Trichopodus pectoralis, Regan 1910) on Appetite Regulation Rosadi, Erwin; Budiarti, Lia Yulia; Putra, Andifa Anugerah; Rahmah, Resvi Amalia; Qiptiah, Putri Mariatul; Isnaini, Isnaini
MAGNA MEDICA Berkala Ilmiah Kedokteran dan Kesehatan Vol 11, No 1 (2024): February
Publisher : Universitas Muhammadiyah Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26714/magnamed.11.1.2024.38-52

Abstract

Backgrounds: Production of Sapat siam fish is ranked second after Papuyu. Giving fish in cases of wasting can overcome mineral deficiencies in wasting sufferers, because fish contains minerals. Wasting sufferers experience Fe, Ca and Zn deficiencies. There is a relationship between cases of wasting and the incidence of anemia. Anemia sufferers experience a decrease in appetite. Until now, there is no known effect of giving the minerals Fe, Ca and Zn on appetite regulation. Objectives: This research aims to determine the mineral content of Sapat siam fish specifically Fe, Ca and Zn and the influence of that minerals on appetite regulation in silico.Methods: Analysis of mineral content in Sapat siam fish meat using the AAS method and analysis of the influence of Fe, Ca and Zn minerals using the in-silico method.Results: Sapat siam fish meat contains Fe, Ca and Zn with concentrations of 34.5 ± 0.8485, 1,670 ± 183.8478 and 22.8 ± 0.1414, respectively. The presence of Fe, Ca and Zn in Sapat siam fish meat prediction can binding with ligand Ghrelin, leptin, NPY (Neuropeptide Y), ARC, IL-1β, AgRP Conclusion: Sapat siam fish prediction can stimulate appetite
Co-Authors Erwin Rosadi, Erwin Febriyanti, Nur Fatma Isnaini Isnaini Lia Yulia Budiarti Noer Komari Putri, Amaris Nathania Hanindia Qiptiah, Putri Mariatul Rahmah, Resvi Amalia Rahmat Eko Sanjaya