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All Journal Jurnal Pangan dan Gizi Journal of Tropical Life Science : International Journal of Theoretical, Experimental, and Applied Life Sciences METAMORFOSA Journal of Biological Sciences Cannarium (Jurnal Ilmu-ilmu Pertanian) Jurnal Pangan dan Agroindustri Jurnal Keteknikan Pertanian Tropis dan Biosistem Jurnal Ilmiah Universitas Batanghari Jambi JITIPARI (Jurnal Ilmiah Teknologi dan Industri Pangan UNISRI) AGRITEKNO, Jurnal Teknologi Pertanian Jurnal Teknologi Pertanian Andalas Journal of Tropical AgriFood Agrica: Journal of Sustainable Dryland Agriculture Spizaetus: Jurnal Biologi dan Pendidikan Biologi Jurnal Teknologi Pangan CHEMTAG Journal of Chemical Engineering JURNAL AGROTEKNOSAINS Jurnal Riset Teknologi Pangan Dan Hasil Pertanian (RETIPA) Journal of Food and Agricultural Product Jurnal Ilmiah Pangan Halal Rona Teknik Pertanian Jurnal Ilmu-Ilmu Pertanian
Jatmiko Eko Witoyo
Institut Teknologi Sumatera
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Economics, Econometrics & Finance Education Electrical & Electronics Engineering Energy Engineering Environmental Science Immunology & microbiology Industrial & Manufacturing Engineering Law, Crime, Criminology & Criminal Justice Mechanical Engineering Social Sciences Other

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In Silico Screening of Syzygium myrtifolium Flavonoid Compoinds as Anti-bacterial Activity: In Silico Screening of Syzygium myrtifolium Flavonoid Compounds Nelsy Dian Permatasari; Jatmiko Eko Witoyo; Masruri; Sudarminto Setyo Yuwono; Simon Bambang Widjanarko
Journal of Tropical Life Science Vol. 12 No. 3 (2022)
Publisher : Journal of Tropical Life Science

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.11594/jtls.12.03.02

Abstract

Bacterial infection and antibiotic resistance are popular issues nowadays. Several pre[1]vious reports performed antibacterial screening activities involving natural herbs and synthetic drugs. Alanine racemase and transglycosylase are essential proteins for peptidoglycan membrane synthesis in bacteria and an alternative target for antibacterial performance. This study identified six flavonoid compounds in Syzygium myrtifolium to perform the antibacterial activity. In silico study was conducted for modelling flavonoids – protein complexes. Five flavonoids from S. myrtifolium were taken out of he canonical smiles from the PubChem database and modelled three-dimensional structure using ChemDraw and molView. Targeted protein, alanine racemase and transglycosylase were downloaded from Protein Data Bank with ID 4WR3 and 1SLY. Ligands and proteins were interacted by Molegro virtual Docker 5.0 and visualized by Discovery studio version 21.1.1. Five flavonoids showed inhibition with alanine racemase and transglycosylase in the same active sites of control and sodium benzo[1]ate. According to the binding energy, calopiptin performed the lowest binding energy value in alanine racemase complexes, while 2-Propanone, 1,3-bis(5-nitro-2-furanyl) showed the lowest value of four other flavonoids at transglycosylase complexes. The type of interactions were electrostatic, hydrogen bonds, hydrophobic interactions and unfavorable ones. Low binding energy and varied interaction types indicated tight of ligand-protein interaction. In summary, five flavonoids inhibited alanine racemase and transglycosylase, and the peptidoglycane membrane synthesis in bacteria might be inferred.
Co-Authors Aditya Wahyu Nugraha Afifah, Amalia Alvianto, Dikianur Bambang Dwi Argo Bare, Yohanes Brahmanti, Ajeng Astrini Cavendish, Amedeo Devita, Wilda Harlia Dewi Ratih Tirto Sari Endo Pebri Dani Putra Eva Ni’maturohmah Gabriella Chandrakirana Krisnamurti Hamaisa, Atika Hyldegardis Naisali Jaya Mahar Maligan Khoirina, Adhian Dini Khoirina Kurniawan, Randy Yusuf Masruri Masruri Masruri Muhammad Alwi Nelsy Dian Permatasari Ni'maturohmah, Eva Pamungkas, Bangkit Puji Putra Pangestuti, Martasari Beti Panggulu Ahmad Ramadhani Utoro Permatasari, Nelsy D Pratama, Borneo Satria Putra, Tamam Athallah Rhely Rahayu, Lisa F Ristianti, Wigi Putri Saraswati, Ayu R SARASWATI, Ayu Rahayu Sari, Yanti SIMON BAMBANG WIDJANARKO Sudarminto Setyo Yuwono Susilo, Donor Utomo M. Ustiatik, Reni Utoro, Panggulu A R Yunira, Eka Nur'azmi