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All Journal Pharmaciana: Jurnal Kefarmasian MPI (Media Pharmaceutica Indonesiana) Acta Pharmaceutica Indonesia Science and Technology Indonesia Resona : Jurnal Ilmiah Pengabdian Masyarakat JFIOnline Jurnal Ilmiah Ibnu Sina (JIIS): Ilmu Farmasi dan Kesehatan
Aditya Trias Pradana
Departemen Farmasetika, Fakultas Farmasi, Universitas Surabaya, Surabaya
Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Physics

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Computational Chemical Interactions Study and Characterization of Rutin-Malic Acid and Rutin-Nicotinamide Binary Mixture by Microwave Irradiation Winantari, Agnes Nuniek; Dewantara, Djayawati Poetri; Sumartha, I Gede Ari; Rani, Karina Citra; Pradana, Aditya Trias; Kesuma, Dini
Science and Technology Indonesia Vol. 11 No. 1 (2026): January
Publisher : Research Center of Inorganic Materials and Coordination Complexes, FMIPA Universitas Sriwijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26554/sti.2026.11.1.196-206

Abstract

Rutin is a saf flavonol glycoside with potent antioxidant activities. However, its low water solubility (122.6–126 μg/mL) limits rutin applications. Binary mixtures of rutin–malic acid (R-MA) and rutin–nicotinamide (R-NIC) are among the strategies used to improve rutin’s solubility. This research aimed to evaluate the chemical interactions and physical characteristics of both binary mixtures (in equimolar ratios). The chemical interactions of R-MA and R-NIC were studied using the molecular docking method (AutoDock4). The results showed that the lowest binding energies of R-MA and R-NIC were −1.18 kcal/mol and −2.77 kcal/mol, respectively, with evidence of hydrogen bonding and π–π stacking interactions. The binary mixtures of R-MA (1:1) and R-NIC (1:1) were prepared by the microwave irradiation method. R-MA (1:1) and R-NIC (1:1) were prepared by slurrying under continuous stirring at 120 rpm, 70 °C for 4 min, and the microwave irradiation energy was set to 300 Watt for 5 min of exposure time. The formed binary mixture physical characteristics were evaluated using PXRD, DSC, FTIR, and SEM. The characterization results indicated the presence of a binary mixture. Compared to the physical mixture and their parent components (rutin, MA/NIC), diffractograms, thermograms, and IR spectrums respectively showed that the binary mixture has similar crystallinity profiles, decreased endothermic peaks, and not significantly shifted wavenumbers. Morphology analysis depicted that rutin, MA, and NIC are acicular, plate, and columnar shaped, respectively, while both binary mixtures showed an agglomerated fine needle-like, irregular shape, and rough-surface particles. This research shows that the binary mixtures of R-MA and R-NIC were successfully formed using this method, in accordance with chemical interaction predictions.
Co-Authors Ade Ayu Kintan Anjarsari Arina Swastika Maulita, Arina Swastika Arya Eka Wardhana Boehe, Andrew Pierce Boehe, Andrew Pierce Chintya Dewi Tanuwijaya Christentia Steffany Dewantara, Djayawati Poetri Diva Amadea Nabilla Eka Desi Susanti Fawandi Fuad Alkindi Fransiska Levina Oktaviani Hadi, Faizal Susilo I Gede Ari Sumartha Jayani, Nikmatul Ikhrom Eka Karina Citra Rani Kesuma, Dini Kusyairi, Achmad Milala, Alasen Sembiring Muhammad Rifani Rachman Ni Putu Resa Darmayani Nikmatul Ikhrom Eka Jayani Nurliya Irfiani Rahma Anida Putri Rani, Karina Citra Rika Yulia Rista Noer Efendi Roisah Nawatila Roisah Nawatila Roisah Nawatila Setiawan, Finna Winantari, Agnes Nuniek Winantari, Agnes Nuniek