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Widji Soeratri
Departemen Ilmu Kefarmasian, Fakultas Farmasi, Universitas Airlangga, Surabaya
Religion Agriculture, Biological Sciences & Forestry Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Control & Systems Engineering Education Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Nursing Physics Public Health Other

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Feasibility Prediction of Quercetin and Ascorbic Acid Combination for Skin Lightening through Tyrosinase Inhibition Mechanism by Molecular Docking Nugroho, Nadia Paramitha; Rosita, Noorma; Widji Soeratri
JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Vol. 12 No. 3 (2025): JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA
Publisher : Universitas Airlangga

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/jfiki.v12i32025.364-371

Abstract

Background: Hyperpigmentation is an aesthetic problem that can affect people psychologically and emotionally. Quercetin and ascorbic acid are topical ingredients commonly used as skin lightening active ingredients by their role as tyrosinase inhibitors. Objective: This research is to determine quercetin’s feasibility to be combined with ascorbic acid or one of its more stable and commercially most used derivatives in cosmetics, 3-O-ethyl ascorbic acid in inhibiting tyrosinase. Methods: The research was conducted in an in silico manner by molecular docking, supplemented by literature research on in vitro experiments. The ligands and receptor preparation were undertaken prior to performing molecular docking with AutoDockTools 1.5.6. Molecular docking was carried out after the validation step with the RMSD value of 0.91 Å. Results: Quercetin has greater binding affinity to tyrosinase (ΔG = -5.01 kcal/mol) than ascorbic acid (ΔG = -4.20 kcal/mol), as well as owning the most similar type of interaction and comparable affinity to L-tyrosine (ΔG = -5.87 kcal/mol) as the native ligand. Quercetin shares several same amino acid residues with ascorbic acid which indicates similar mechanisms of inhibition. Meanwhile, ascorbic acid possesses virtually equal binding affinity to 3-O-ethyl ascorbic acid (ΔG = -4.63 kcal/mol), though has considerably more potent tyrosinase inhibition activity in in vitro studies. Conclusion: Ascorbic acid is postulated to be feasible to combine with quercetin for inhibiting tyrosinase activity to eventually yield more optimized depigmenting effect.
Co-Authors A'liyatur Rosyidah, M.Si., Ph.D Abdurahman Abdurrahman Abhimata Paramanandana Afra, Fairuz Yaumil Allyssia Salma Anita Natalia Suryawijaya Athiyyah, Wafa'ul Bambang Widjaja Bella Fevi Aristia Cindi Dia Annisa Cita Rosita Sigit Prakoeswa Damaranie Dipahayu Damaranie Dipahayu Damaranie Dipahayu Damaranie Dipahayu, Damaranie Dewi Febiyanti Dewi Isadiartuti DEWI RAHMAWATI Diana Fitrianingrum Djoko Agus Purwanto Dwi Setyawan Dyah Rahmasari Eko Pujiono, Feri Elkania Putri, Safira Epipit Eryka A. Novarinandha Fairuz Yaumil Afra Fedik Abdul Rantam Fransisca Dita Mayangsari Herra Studiawan Hidayah, Rohmawati I Gusti Ayu Adhi Aryapatni Isnaeni Juni Ekowati Kadeq Novita Prajawanti Khoirun Nisyak Luky Hayuning Les Mangestuti Agil Maria Lucia Ardhani Dwi Lestari Maulina Apriani Miatmoko, Andang Nabilla Navyani P.A Ninis Yuliati, Ninis Nisa Qurrota Ayun Noor Ifansyah Noor Ifansyah Noorma Rosita Nugroho, Nadia Paramitha Nuruddin, Mahrus Naufal Nurul Islami Ningtiyas Paramita, Diajeng Putri Pawahid Pawahid Poernomo, A.Toto Purwanto , Djoko Agus Ressa Marisa Retno Sari Ria Hanistya Rina Mutya Suzliana Rohmawati Hidayah Rufaidah Azzahrah Safiul Fitria, Nur Indah Setyo Wiyono, Anang Siswandono Siti Hartini Hamdan Soemiyati Srinalesti Mahanani, Srinalesti Suko Hardjono Suwarno Putra, Adryansyah Tri Widiandani Tristiana Erawati Tristiana Erawati Tristiana Erawati Munandar Tutiek Purwanti Virnanda Syafira Hartatiningrum Yulis Setiya Dewi Zahwa Natasya Novita P. Zhihrotulwida, Dzakiya