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All Journal Journal of Tropical Life Science : International Journal of Theoretical, Experimental, and Applied Life Sciences Indonesian Journal of Cancer Chemoprevention Jurnal Ilmu Farmasi dan Farmasi Klinik (Journal of Pharmaceutical Science and Clinical Pharmacy) PROSIDING SEMINAR KIMIA INDONESIAN JOURNAL OF PHARMACY Jurnal Penelitian Sains Jurnal Profesi Medika: Jurnal Kedokteran dan Kesehatan Syntax Literate: Jurnal Ilmiah Indonesia Journal of Economic, Bussines and Accounting (COSTING) PENDIPA Journal of Science Education JRB-Jurnal Riset Bisnis JFIOnline Jurnal Ilmu Kefarmasian Indonesia Jurnal Kesehatan Jurnal Pendidikan dan Konseling Contagion: Scientific Periodical Journal of Public Health and Coastal Health Syntax Idea Jurnal Ners Jurnal Riset Kefarmasian Indonesia Jurnal Farmagazine Bioscientist : Jurnal Ilmiah Biologi Daengku: Journal of Humanities and Social Sciences Innovation Jurnal Info Sains : Informatika dan Sains Healthy Tadulako Journal (Jurnal Kesehatan Tadulako) Medical Sains : Jurnal Ilmiah Kefarmasian Pharmaceutical Sciences and Research (PSR) Makara Journal of Science Jurnal Sosial dan Sains Sanskara Ekonomi dan Kewirausahaan Jurnal Farmasi Indonesia Parapemikir Jurnal Ilmiah Farmasi Medical Sains : Jurnal Ilmiah Kefarmasian Journal of Natural Product for Degenerative Diseases
Shirly Kumala
Universitas Pancasila
Aerospace Engineering Agriculture, Biological Sciences & Forestry Humanities Astronomy Automotive Engineering Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Dentistry Economics, Econometrics & Finance Education Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Library & Information Science Mathematics Medicine & Pharmacology Nursing Physics Public Health Social Sciences Other

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Journal : Makara Journal of Science

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Identification of Xanthine Oxidase Inhibitors in Single-Clove Black Garlic using Metabolomics and Molecular Docking Approaches Setiawan, Abdul Aziz; Kumala, Shirly; Laksmitawati, Dian Ratih; Yuniarto, Ari; Yuliana, Nancy Dewi
Makara Journal of Science Vol. 30, No. 1
Publisher : UI Scholars Hub

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Abstract

Black garlic is produced through controlled fermentation under specific temperature and humidity conditions, during which the Maillard reaction enhances its sensory properties and bioactivity. The anti-hyperuricemic potential of single-clove black garlic (SBG) remains unexplored. This study combined Ultra High-Performance Liquid Chromatography–High Resolution Mass Spectrometry-based metabolomics and an in-silico approach to identify the potential xanthine oxidase inhibitors (XOI) in SBG. Methanolic extracts (10 ppm) exhibited xanthine oxidase inhibition ranging from 50.09% to 68.01%, which is comparable to allopurinol (78.74%) at the same concentration. Metabolomic profiling tentatively identified 45 compounds, and orthogonal partial least squares analysis revealed seven metabolites as strongly correlated with XOI activity, namely α-(1-deoxy-D-fructose-1-yl)-L-arginine, alliin, 2-amino-2-deoxy-D-glucose, S-allyl-L-cysteine, quercetin, and m-coumaric acid. Molecular docking showed that these compounds exhibited binding energies comparable to allopurinol, thus indicating favorable interactions within the xanthine oxidase active site. Molecular dynamics simulations confirmed the stability of ligand–enzyme complexes, with consistent hydrogen bond interactions, which support their stable binding conformations. ADMET analysis revealed that most compounds demonstrated acceptable pharmacokinetic profiles, high intestinal absorption, low blood–brain barrier permeability, and non-hepatotoxic and non-mutagenic properties. The integration of metabolomics, molecular docking, molecular dynamics, and ADMET prediction supports the potential of SBG-derived compounds as safe and effective XOIs, thereby highlighting SBG as a promising functional food candidate for the management of hyperuricemia
Co-Authors . Desi . Suhaimi . Syamsudin . Yuliani Abdul Aziz Setiawan Adini, Syilvi Ahmad Subhan Aji, Nur Anwar Wahyudi Anwar, Yelfi Ariyani Kiranasari Ariyani Kiranasari Armansyah, Septiyana Lia Atut Ruswita Aulena, Desi Nadya Ayuditiawati, Meita Bekti, Novi Dyah Purnama Bekti, Novi Dyah Purnama Datubara, Martaulina Elisabet Delina Hasan Deni Rahmat Dian Indriani Dian Ratih L. Dian Ratih Laksmitawati Didik Tulus Dimas Adrianto Dosi Ahmad Yani Dwi Aryanti, Anindita Dwi Fitriyani, Dwi Dwi Hapsari Juniarti Dwi Windi Sapitri Elvina Dhiaul Iftitah Erlita Agustina Esti Mumpuni Esti Mumpuni, Esti Fachry Abda El Rahman Farida, Yunahara Faridah Faridah Fauzi Setyo Fandheo Febbyasi Megawaty Gabriel Gabriel Gabriel, Gabriel Gandes Winarni Gumilar Adhi Nugroho Halim, Marta Hasan, Delina Herru Setiawan Hersunaryati, Yetti Heru Santosa Heru Santosa Hery Prambudi Hesty Utami Hesty Utami R Huda, Badrul I Ketut Suada Iha Haryani Hatta Indarwati Indarwati Kurota Aini Lea P. Retnoningsih Leonardus B.S. Kardono Lestari Rahayu Lies Putriana Mardiastuti, . Mardiastuti, . Marlin M. Raunsai Mochtar, Dede Mochtar, Dede Nancy Dewi Yuliana Nancy Raisa Nancy Raisa, Nancy Noor, Laili Savitri Nur Aji Nurmaini Nurmaini Partomuan Simanjuntak Partomuan Simanjuntak Pasanema, Dimas A. M. Pasanema, Dimas A. M. Pasaribu, Rita Kristina Pieter Hazmen Pratama, Anton Pratiwi Pujilestari Sudarmono Prih Sarnianto Priyo Wahyudi R, Hesty Utami Rachmani, Rum Rachmani, Rum RAHMAT, DENI Raihan, Dany Ramadaniati, Hesty Utami Restu Restiani Reubun, Yonathan Tri Atmodjo Reza Agung Sriwijaya Risma Marisi Tambunan, Risma Marisi Rita Kristina Pasaribu Robert Utji Rochimah Ros Sumarny RR. Ella Evrita Hestiandari Ruskar, Dandung Sarnianto, Prih Saru Noliqo Rangkuti Sembiring, Rinawati Sesilia A. Keban Sesilia Andriani Keban Setiadi, Feri Setiawan, Abdul Aziz Setiyarini, Setiyarini Shanny, Fransisca Shanny, Fransisca Simanjuntak, Partomuan Siswa Setyahadi Siswa Setyahadi Siti Jabal Mastura Sofyan Ramani Sri Widyastuti Stiani, Sofi Nurmay Sugiastuti, Fenty Suhaimi Suhaimi Suhaimi, . Syarifah Aini Tamimi, Khairunnisa Teti Indrawati Umilawati Rawi Utami R, Hesty Violeta, Violeta Wahyudi Uun Widiyastuti, Asih Yati Sumiyati, Yati Yuniarto, Ari Yusransyah, Yusransyah Zaidan, Sarah