Nature's Arsenal Against NAFLD: Computational Analysis of Bioactive Plant Compounds
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Abstract
Non-alcoholic fatty liver disease (NAFLD) presents a significant global health challenge. This study investigates the therapeutic potential of plant-derived compounds in NAFLD treatment using advanced computational techniques. We employed SwissADME, SwissTargetPrediction, SuperPred, and SEA platforms to analyze the pharmacokinetic properties and predict biological targets of various phytochemicals. Enrichment analyses, including Gene Ontology, KEGG, and Reactome pathway analyses, were conducted to elucidate the compounds' effects on NAFLD-related pathways. Our findings reveal a diverse array of phytochemicals with promising anti-NAFLD activities, particularly flavonoids, aromatic compounds, and certain fatty acids. Notably, compounds demonstrating high drug-likeness and favourable solubility profiles showed significant associations with key pathways implicated in NAFLD pathogenesis, including AMPK signalling, PPAR signalling, and lipid metabolism. Several compounds exhibited potential to modulate both metabolic and inflammatory aspects of NAFLD. However, some highly drug-like compounds presented bioavailability challenges due to low solubility, highlighting the need for advanced drug delivery systems. This comprehensive analysis not only identifies potential therapeutic candidates but also underscores the complex, multifaceted nature of NAFLD. Our results provide a robust foundation for future in vitro and in vivo studies, paving the way for the development of novel, targeted therapies in the ongoing battle against NAFLD.
Keywords:
NAFLD Phytochemicals Computational pharmacology Pathway analysis Drug discovery Metabolic disorders Liver disease Natural compoundsFull Article
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Copyright © 2026 by the author(s). This is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY 4.0) license, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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How to Cite
Low, X., Tay, H. (2026). Nature's Arsenal Against NAFLD: Computational Analysis of Bioactive Plant Compounds. BiomedicaSphere, 1(1), 1-9.