Biopigments from Monascus sp. as Potential Peroxisome Proliferator-Activated Receptor Alpha (PPAR-α) Modulators: A Computational Approach
Original/Research Article
DOI:
https://doi.org/10.33005/jdiversemedres.v3i7.372Keywords:
Biopigments, Lipid Metabolism, Monascus, PPAR-α, RubropunctatinAbstract
Monascus sp. produces biopigments (ankaflavin, monascin, and rubropunctatin) that have various biological activities, including a role in lipid metabolism through interaction with peroxisome proliferator-activated receptor alpha (PPAR-α). It plays an important role in regulating lipid metabolism and is a therapeutic target. Fenofibrate is one of the antihyperlipidemic drugs that targets PPAR-α. Therefore, this study aimed to evaluate the interaction of ankaflavin, monascin, and rubropunctatin with PPAR-α. The biopigments were analyzed using SwissADME and molecular docking with PPAR-α (PDB ID: 5HYK). The results showed that ankaflavin, monascin, and rubropunctatin complied with Lipinski’s Rule. Molecular docking revealed that all biopigments analyzed had good interactions with PPARα, with binding affinity values of ankaflavin -10.03 kcal/mol, monascin -10.38 kcal/mol, and rubropunctatin -10.62 kcal/mol. Rubropunctatin had the most negative binding affinity and the lowest predicted Ki (16.45 µM) among the tested biopigments and was most similar to the positive control, fenofibrate (−10.78 kcal/mol and 12.59 µM). In conclusion, these findings suggest that biopigments from Monascus sp. are potential candidates for PPAR-α modulators, particularly rubropunctatin. Further in vivo and in vitro investigations are necessary to validate these findings.
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Naser IH, Alkareem ZA, Mosa AU. Hyperlipidemia: pathophysiology, causes, complications, and treatment. A review. Karbala Journal of Pharmaceutical Sciences. 2021. 1(19):118.
Duan Y, Gong K, Xu S, Zhang F, Meng X, Han J. Regulation of cholesterol homeostasis in health and diseases: from mechanisms to targeted therapeutics. Signal transduction and targeted therapy. 2022. 7(1):265.
Li Z, Deng W, Yang L, Tang C, Yue JM, Monteiro O, Baptista-Hon DT, Li T. Lipid metabolism in homeostasis and disease. Signal transduction and targeted therapy. 2026. 11(1):55.
Bougarne N, Weyers B, Desmet SJ, Deckers J, Ray DW, Staels B, De Bosscher K. Molecular actions of PPAR α in lipid metabolism and inflammation. Endocrine reviews. 2018. 39(5):760- 802.
HuP,LiK,PengX,KanY,LiH,ZhuY,WangZ,LiZ,LiuHY,CaiD.Nuclearreceptor PPARα as a therapeutic target in diseases associated with lipid metabolism disorders. Nutrients. 2023. 15(22):4772.
Tahri-Joutey M, Andreoletti P, Surapureddi S, Nasser B, Cherkaoui-Malki M, Latruffe N. Mechanisms mediating the regulation of peroxisomal fatty acid beta-oxidation by PPARα. International journal of molecular sciences. 2021. 22(16):8969.
HeJ,ZhangP,ShenL,NiuL,TanY,ChenL,ZhaoY,BaiL,HaoX,LiX,ZhangS.Short- chain fatty acids and their association with signalling pathways in inflammation, glucose and lipid metabolism. International journal of molecular sciences. 2020. 21(17):6356.
Chaudhary V, Katyal P, Poonia AK, Kaur J, Puniya AK, Panwar H. Natural pigment from Monascus: The production and therapeutic significance. Journal of Applied Microbiology. 2022. 133(1):18-38.
Feng SS, Li W, Hu YJ, Feng JX, Deng J. The biological activity and application of Monascus pigments: A mini review. International Journal of Food Engineering. 2022. 18(4):253-66.
Husakova M, Patakova P. Purified Monascus pigments: Biological activities and mechanisms 9
e-ISSN : 3063-9433 Journal of Diverse Medical Research: Medicosphere 2026; No (Vol)
of action. Journal of Natural Products. 2025. 88(2):607.
Alqurashy NN, Yousef MI, Tabakh MA, Hussein AA, Kamel MA, El-Wakil A. Protective role
of Monascus red pigment against hydroxyapatite nanoparticle-induced liver injury in rats via modulation of metabolic regulators. Biochemical and Biophysical Research Communications. 2025. 775:152179.
Mohankumari HP, Naidu KA, Narasimhamurthy K, Vijayalakshmi G. Bioactive pigments of Monascus purpureus attributed to antioxidant, HMG-CoA reductase inhibition and anti- atherogenic functions. Frontiers in Sustainable Food Systems. 2021. 5:590427.
Liang JX, Zhang QQ, Huang YF, Pang HQ, Liu XG, Gao W, Li P, Yang H. Comprehensive chemical profiling of monascus-fermented rice product and screening of lipid-lowering compounds other than monacolins. Journal of ethnopharmacology. 2019. 238:111879.
Yang PX, Hsu YW, Pan TM, Lee CL. Monascinol from Monascus pilosus-fermented rice exhibits hypolipidemic effects by regulating cholesterol and lipid metabolism. Journal of Functional Foods. 2024. 119:106285.
Agoni C, Fernandez-Diaz R, Timmons PB, Adelfio A, Gomez H, Shields DC. Molecular modelling in bioactive peptide discovery and characterisation. Biomolecules. 2025. 15(4):524.
Arief I, dan Hairunnisa H. Profil ADME Dari Entitas Molekul Baru Yang Disetujui Oleh FDA Tahun 2021: Suatu Kajian In Silico. Jambura Journal of Chemistry. 2022. 4(2):1–11.
Husakova M, Patakova P. Purified Monascus Pigments: Biological Activities and Mechanisms of Action. J Nat Prod. 2025. 28;88(2):607-615. doi: 10.1021/acs.jnatprod.4c01008.
Tahri-Joutey M, Andreoletti P, Surapureddi S, Nasser B, Cherkaoui-Malki M, Latruffe N. Mechanisms mediating the regulation of peroxisomal fatty acid beta-oxidation by PPARα. International journal of molecular sciences. 2021. 22(16):8969.
Hsu WH, Chen TH, Lee BH, Hsu YW, Pan TM. Monascin and ankaflavin act as natural AMPK activators with PPARα agonist activity to down-regulate nonalcoholic steatohepatitis in high- fat diet-fed C57BL/6 mice. Food and Chemical Toxicology. 2014. 64:94-103.
Kamata S, Oyama T, Saito K, Honda A, Yamamoto Y, Suda K, Ishikawa R, Itoh T, Watanabe Y, Shibata T, Uchida K, Suematsu M, Ishii I. PPARα Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. iScience. 2020. 23(11):101727. doi: 10.1016/j.isci.2020.101727.
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