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All Journal Journal of Food and Pharmaceutical Science Jurnal Penelitian Saintek JPTK: Jurnal Pendidikan Teknologi dan Kejuruan INOTEKS : Jurnal Inovasi Ilmu Pengetahuan, Teknologi, dan Seni agriTECH Jurnal ABDINUS : Jurnal Pengabdian Nusantara Jurnal Riset Teknologi Industri Journal of Food and Pharmaceutical Sciences
Ichda Chayati
Universitas Negeri Yogyakarta
Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Environmental Science Immunology & microbiology Industrial & Manufacturing Engineering Materials Science & Nanotechnology Mechanical Engineering Medicine & Pharmacology Neuroscience Other

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Characterization of Purple Corn Anthocyanin Components and Their Pharmacokinetic Profiles through In Silico Study Chayati, Ichda; Nuryadi, Satyo; Purnomo, Hari; Miladiyah, Isnatin
Journal of Food and Pharmaceutical Sciences Vol 14, No 2 (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.23226

Abstract

Purple corn contains high levels of bioactive anthocyanins with potential health-promoting effects. This study aimed to quantitatively characterize the anthocyanin profile of an Indonesian purple corn variety and evaluate the pharmacokinetic properties of its major constituents using in silico modelling. The anthocyanin extract was analyzed by HPLC (high-performance liquid chromatography), and concentrations were determined using authentic standards. The pharmacokinetic parameters, including absorption, distribution, metabolism, excretion, and toxicity (ADMET), were predicted using the pkCSM platform, and drug-likeness properties were evaluated based on Lipinski’s Rule of Five. Cyanidin-3-glucoside (0.82 mg/100 g DW), peonidin-3-glucoside (0.38 mg/100 g DW), and pelargonidin-3-glucoside (0.35 mg/100 g DW) were identified as the predominant anthocyanins. In silico ADMET predictions using pkCSM revealed low intestinal absorption, moderate peripheral tissue distribution, and violations of Lipinski’s Rule of Five, indicating limited suitability as conventional oral pharmaceuticals. Nevertheless, the compounds exhibited low predicted toxicity, minimal CYP450 inhibition, and favorable excretion profiles, supporting potential safe use as nutraceuticals or functional food ingredients. This integrated approach demonstrates that experimental phytochemical profiling combined with computational pharmacokinetic analysis provides valuable insight into the properties of anthocyanins beyond standard bioavailability studies. The findings provide a foundation for future formulation strategies, such as encapsulation or delivery enhancement, to improve bioavailability and functional activity in foods or dietary supplements. Overall, anthocyanins from Indonesian purple corn are promising safe natural bioactives, warranting further experimental and translational research.
Co-Authors Asi Tritanti Bayu Rahmat Setiadi HARI PURNOMO Isnatin Miladiyah Kapti Asiatun Mary Astuti Mutiara Nugraheni Nani Ratnaningsih Noor Fitrihana Nuryadi, Satyo Prihastuti Ekawatiningsih Sunarti Sunarti Sutriyati Purwanti Syukri Fathudin Achmad Widodo Titin Hera Widi Handayani Yustinus Marsono