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All Journal HAYATI Journal of Biosciences Jurnal Ilmiah Farmasi Indonesian Journal of Cancer Chemoprevention Majalah Obat Tradisional Jurnal Profesi Medika: Jurnal Kedokteran dan Kesehatan Syntax Literate: Jurnal Ilmiah Indonesia Majalah Farmaseutik Majalah Farmasi dan Farmakologi (Trends in Pharmacy and Pharmaceutical Sciences) Holistik Jurnal Kesehatan Jurnal Farmasi Indonesia JFIOnline Jurnal Ilmu Kefarmasian Indonesia Jurnal Biomedika dan Kesehatan Poltekita : Jurnal Ilmu Kesehatan Majalah Farmasetika To Maega: Jurnal Pengabdian Masyarakat Jurnal Farmamedika (Pharmamedica Journal) SULUH: Jurnal Abdimas Health Information : Jurnal Penelitian Jurnal Kesehatan Poltekkes Kemenkes RI Pangkalpinang Jurnal Kefarmasian AKFARINDO Jurnal Kesehatan Lumbung Farmasi : Jurnal Ilmu Kefarmasian Jurnal Farmagazine Jurnal Buana Farma Binawan Student Journal Journal of Social Research East Asian Journal of Multidisciplinary Research (EAJMR) International Journal of Health and Pharmaceutical (IJHP) Makara Journal of Science Jurnal Farmasi Indonesia Kartika : Jurnal Ilmiah Farmasi Jurnal Kefarmasian Indonesia Jurnal Sains dan Kesehatan Journal of Natural Product for Degenerative Diseases Akurasi Jurnal Kesehatan
Dian Ratih Laksmitawati
Universitas Pancasila
Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Dentistry Earth & Planetary Sciences Economics, Econometrics & Finance Education Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Law, Crime, Criminology & Criminal Justice Library & Information Science Materials Science & Nanotechnology Medicine & Pharmacology Nursing Public Health Social Sciences Other

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Journal : Makara Journal of Science

 1 
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 . Syamsudin Ahmad Faried Ana Yupita Liza Andayani, Nurita Andreas Infianto Ani Retno Prijanti Annisa Septyana Putri Ayu Werawati Bagus Bahtiar Bambang Ponco Priosoeryanto Cahyaning Riski Wijayanti Caroline Tan Sardjono CAROLINE TAN SARDJONO Chandra, Pra Panca Bayu Claudia Tiffani Dedy Kurniawan Deni Rahmat Deni Rahmat Devina Harti Syaputri Diah Kartika Pratami Diar Gustianti Istita Edwin Tomasoa Effionora Anwar Effionora Anwar Elisabeth Ninung Yuliarti Esti Mumpuni Esti Mumpuni Esti Mumpuni Esti Mumpuni, Esti Faradiba Faradiba Faridah Faridah Ferry Sandra Hanna Sari W Kusuma Hanna Sari Widya Kusuma HARI PURNOMO Hendig Winarno Hendig Winarno Hesti Utami Ramadaniati Hesti Utami Ramadaniati Hikariastri, Pangartika Indah Zahara Ivans Panduwiguna James Ibrahim Jayati, Turpuk Mannaria Jeanette Mangiwa Jeanne A. Pawitan Jeanne Adiwinata Pawitan Juliana Irem Adriana Purukan Katharina Aditya Candra Utukaman Kusmardi Kusmardi Kusmardi Kusmardi Laili Savitri Noor Laksono Trisnantoro Larasinta, Nadia Lia Warti Liliek Nurhidayati Magdalena Niken Oktovina Marwati, Umi Marybet Tri Retno Handayani Meilda Ayu Bathini Mita Restina Moch Futuchul Arifin Mohamad Sadikin Mohammad Sadikin Mokhamad mahroji Muhammad Hanafi Mulatsari, Esti Nancy Dewi Yuliana Noor, Laili Savitri Novia Maulina Novia Maulina Nuraini Nuraini Nurita Andayani Okta, Fauzia Noprima Oriza Safrini Oriza Safrini Panca, Pra Panca Bayu Chandra Pangartika Hikariastri Partana, Citra Prastuti Partomuan Simanjuntak Patminingsih, Nanik Pra Panca Bayu Chandra Pra Panca Bayu Chandra Prasasta Sutedjo Prih Sarnianto Prih Sarnianto Prih Sarnianto Prilasari, Sharon Alia Rachmawati Noverina RAHMAT, DENI Rahmawati, Siti Irma Ramadaniati, Hesty Utami Ranald Irwanto Ratih Rinendyaputri Renni Septini Rikkit Sihombing Rilianawati Rilianawati Riska Eka Putri, Riska Eka Rizal Rizal Rizal Rizal Ronald Irwanto Ronald Irwanto Natadidjaja ROS SUMARNY Ros Sumarny Ros Sumarny Rudi Asmajaya Sahat Saragi Sampurno Sampurno Sampurno Sampurno Sarwono Waspadji Seila Arumwardana Selvy Devita Anggeraini Setiawan, Abdul Aziz Shelly Taurhesia Shirly Kumala Simbolon, Roslan Simbolon, Roslan Siti Umroh Noor Sutarno Syamsudin Abdillah Teulis Sumiartini Tomasoa, Edwin Trisna Lestari Umi Marwati Utukaman, Katharina Aditya Candra Vergie Indriani Wahono Sumaryono Wahyu Widowati Wahyu Widowati Wireni Ayuningtyas Yoppy Mayrosa Yudha Sukowati Yuniarto, Ari Yusi Anggraini Yusi Anggriani Yusi Anggriani Zahara, Indah