JURNAL KIMIA SAINS DAN APLIKASI
Vol 25, No 7 (2022): Volume 25 Issue 7 Year 2022

Phenolic Compound in Garlic (Allium sativum) and Black Garlic Potency as Antigout Using Molecular Docking Approach

Ayu Rahmania Lestari (Department of Chemistry, Faculty of Mathematics and Natural Science, IPB University, Bogor|IPB University|Indonesia)
Irmanida Batubara (Department of Chemistry, Faculty of Mathematics and Natural Science, IPB University, Bogor|IPB University|Indonesia
Tropical Biopharmaca Research Center, IPB University,Bogor|IPB University|Indonesia)

Setyanto Tri Wahyudi (Tropical Biopharmaca Research Center, IPB University,Bogor|IPB University|Indonesia
Department of Physics, Faculty of Mathematics and Natural Science, IPB University, Bogor|IPB University|Indonesia)

Auliya Ilmiawati (Department of Chemistry, Faculty of Mathematics and Natural Science, IPB University, Bogor|IPB University|Indonesia
Tropical Biopharmaca Research Center, IPB University,Bogor|IPB University|Indonesia)



Article Info

Publish Date
31 Aug 2022

Abstract

Phenolics, including flavonoids, are bioactive components in garlic in relatively abundant amounts and are present 2–4 times more in black garlic. Both of these compounds are reported to have biological activity, with one of them acting as an antioxidant. However, its ability as an antigout is still not widely reported. Xanthine oxidase, adenine deaminase, guanine deaminase, purine nucleoside phosphorylase, and 5-Nucleotidase II are involved during the production of uric acid and causes gout. This study predicted the potential of the phenolic and flavonoid compounds in garlic and black garlic as antigout in inhibiting five target receptors through a molecular docking approach. Utilizing AutoDock Tools v.1.5.7 for receptor and ligand preparation, AutoDock Vina and AutoDock4 for molecular docking, and LigPlot+ and PyMOL for visualization. About 21 compounds from the phenolic and flavonoid groups were used as test ligands and 16 reference ligands (substrate and commercial). SwissADME predicted the pharmacokinetic parameters. The results showed that apigenin, morin, resveratrol, kaempferol, (+)-catechin, isorhamnetin, and (-)-epicatechin were predicted to have good interactions at each target receptor and had the potential to be developed as candidates for multi-target antigout. Based on the pharmacokinetic parameters, all these compounds had good scores in each, making them feasible to continue in vitro or in vivo trials.

Copyrights © 2022






Journal Info

Abbrev

ksa

Publisher

Subject

Chemical Engineering, Chemistry & Bioengineering Chemistry Engineering

Description

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 ...