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All Journal Journal of Food and Pharmaceutical Science Majalah Obat Tradisional Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan Majalah Farmaseutik JURNAL PENGABDI SELAPARANG: Jurnal Pengabdian Masyarakat Berkemajuan Al-Khidmah PengabdianMu: Jurnal Ilmiah Pengabdian kepada Masyarakat Jurnal Mandala Pharmacon Indonesia Journal Syifa Sciences and Clinical Research (JSSCR) ARTERI : Jurnal Ilmu Kesehatan Poltekita: Jurnal Pengabdian Masyarakat Jurnal Insan Farmasi Indonesia Jurnal Farmasi dan Sains Indonesia (JFSI) Indonesian Journal of Pharmaceutical Education Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan Sinteza Journal of Food and Pharmaceutical Sciences Medical Sains : Jurnal Ilmiah Kefarmasian
Ropiqa, Meri
Jurusan Farmasi, Fakultas Kedokteran, Universitas Tanjungpura, Kota Pontianak, Indonesia
Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Control & Systems Engineering Economics, Econometrics & Finance Education Electrical & Electronics Engineering Energy Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mechanical Engineering Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences Other

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Integration of Molecular Docking in the Identification of Natural Antioxidants: Interaction Study of Jackfruit Leaf Flavonoids with NADPH:FMN Oxidoreductase Reynaldi, Muhammad Andre; Ropiqa, Meri
Journal of Food and Pharmaceutical Sciences Vol 14, No 1 (2026): J.Food.Pharm.Sci
Publisher : Integrated Research and Testing Laboratory (LPPT) Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jfps.26236

Abstract

Oxidative stress plays a critical role in the progression of various degenerative diseases through increased production of reactive oxygen species (ROS), driven in spart by the activity of redox related enzymes such as NADPH:FMN oxidoreductase. Bioactive compounds from jackfruit leaves are known to possess antioxidant potential, yet their molecular mechanisms against specific enzymatic targets remain insufficiently elucidated. This study aimed to evaluate the potential interaction of jackfruit leaf flavonoids morin, oxyresveratrol, and artocarpin with NADPH:FMN oxidoreductase using molecular docking analysis. The 1BKJ protein structure was prepared following standard protocols, and all ligands were optimized prior to performing redocking for method validation. AutoDock Vina 1.2.7 was employed with a 20×20×20 Å grid box area. Redocking produced an RMSD of 0.1469 Å, confirming the reliability of the docking parameters. Docking results revealed that morin (–7.848 kcal/mol) and oxyresveratrol (–7.577 kcal/mol) exhibited stronger binding affinities compared with vitamin C (–5.713 kcal/mol) and artocarpin (–5.577 kcal/mol). The dominant interactions involved Arg15, Arg169, Tyr128, Tyr199, and Tyr200, residues that contribute to the stabilization of ligand protein complexes in silico and may be located near functionally relevant regions associated with redox activity. These findings suggest that jackfruit leaf flavonoids may serve as promising candidates for further investigation as potential modulators of redox related enzymes based on predictive in silico evidence.
Integration of Molecular Docking in the Identification of Natural Antioxidants: Interaction Study of Jackfruit Leaf Flavonoids with NADPH:FMN Oxidoreductase Reynaldi, Muhammad Andre; Ropiqa, Meri
Journal of Food and Pharmaceutical Sciences Vol 14, No 1 (2026): J.Food.Pharm.Sci
Publisher : Integrated Research and Testing Laboratory (LPPT) Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jfps.26236

Abstract

Oxidative stress plays a critical role in the progression of various degenerative diseases through increased production of reactive oxygen species (ROS), driven in spart by the activity of redox related enzymes such as NADPH:FMN oxidoreductase. Bioactive compounds from jackfruit leaves are known to possess antioxidant potential, yet their molecular mechanisms against specific enzymatic targets remain insufficiently elucidated. This study aimed to evaluate the potential interaction of jackfruit leaf flavonoids morin, oxyresveratrol, and artocarpin with NADPH:FMN oxidoreductase using molecular docking analysis. The 1BKJ protein structure was prepared following standard protocols, and all ligands were optimized prior to performing redocking for method validation. AutoDock Vina 1.2.7 was employed with a 20×20×20 Å grid box area. Redocking produced an RMSD of 0.1469 Å, confirming the reliability of the docking parameters. Docking results revealed that morin (–7.848 kcal/mol) and oxyresveratrol (–7.577 kcal/mol) exhibited stronger binding affinities compared with vitamin C (–5.713 kcal/mol) and artocarpin (–5.577 kcal/mol). The dominant interactions involved Arg15, Arg169, Tyr128, Tyr199, and Tyr200, residues that contribute to the stabilization of ligand protein complexes in silico and may be located near functionally relevant regions associated with redox activity. These findings suggest that jackfruit leaf flavonoids may serve as promising candidates for further investigation as potential modulators of redox related enzymes based on predictive in silico evidence.
Formulasi Mouthwash Kulit Jeruk Pontianak (Citrus nobilis Lour. Var. microcarpa) dan Uji Aktivitas terhadap Bakteri Streptococcus mutans Meri Ropiqa; Hadi Kurniawan; Sabila Mayesa
Sinteza Vol. 5 No. 2 (2025): August
Publisher : Universitas Hamzanwadi

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29408/sinteza.v5i2.31603

Abstract

Preserving dental and oral hygiene is essential to maintain the overall function of the oral cavity. Essential oil extracted from Pontianak orange peel shows potential as a safe and effective component for oral healthcare when incorporated into a mouthwash formulation. This research was conducted to evaluate the potential of Pontianak orange peel essential oil as an antibacterial mouthwash effective against Streptococcus mutans. The study was conducted by formulating mouthwash preparations using different concentrations of Pontianak orange peel essential oil: 3%, 4%, and 5%, followed by evaluation of physical properties including organoleptic characteristics, homogenity, pH level, sedimentation, specific gravity, and viscosity. The antibacterial properties were tested using  the disc diffusion method.The physical evaluation results showed that the mouthwash had a sweet taste, green color, a citrus peel aroma with a hint of mint; it was homogeneous, with no sedimentation; had a pH value ranging from 5.13 ± 0.02 to 5.25 ± 0.02; specific gravity ranging from 0.9968 ± 0.06 to 1.0424 ± 0.00 g/ml; and viscosity ranging from 1.717 ± 0.02 to 1.920 ± 0.01mPa.s. All formulations met the physical property requirements of a good mouthwash to ensure comfort during use. The largest inhibition zone was observed at the highest essential oil concentration (5%), with a diameter of 8.04 ± 1.05 mm, which falls under the category of moderate antibacterial activity. This study indicates that a mouthwash containing 5% Pontianak orange peel essential oil is effective in inhibiting the growth of Streptococcus mutans.
Co-Authors Ade Damhuzi Agustriangga, Muhammad Rafly Akhmad Kharis Nugroho Alifa Rapaella Fadia Tito Putri Anastasia, Desy Siska Angellica, Grecya Ayu Aulia Uly Fahmi Azmi, Khulul Bambang WIJIANTO Budi Suryana Dian Kartikasari Dian Kartikasari Diani Ria Septina Dwi Nur Oktavianti Fajar Nugraha Fajriaty, Inarah Fathiah Fathiah Hadi Kurniawan Hadi Kurniawan Hadi Kurniawan, Hadi Hairunisa Hairunisa Hairunisa Hairunisa, Hairunisa Hariyanto IH Hasya Nadhira, Raden Indah Purwaningsih Indriyani, Risa Isnindar Isnindar Jumadilah, Rahmi Khulul Azmi Kurnianto, Erwan Luliana, Sri Muhammad Andre Reynaldi Pratiwi Apridamayanti, Pratiwi Putri, Alifa Rapaella Fadia Tito Rahman, Ika Ristia Riska, Bella Robby Najini Sabila Mayesa Samuel Crishanzen Chang Septina, Diani Ria Shoma Rizkifani Sisca Devi Sisca Devi Siska Anastasia, Desy Siti Nani Nurbaeti Sri Wahdaningsih Suhaimi Suhaimi Sukandiarsyah, Fadli Sultan, Andi Rizka Walyanda Sunarsieh Sunarsieh Tiara Bella Pratiwi Yanastya, Salsa Yoana Yosi Bayu Murti Yuswar, Muhammad Akib