In-silico antiobesity activity of Lagerstroemia speciosa (L.) bioactive compounds by targeting transcriptional regulators PPAR-γ, C/EBP-α, and FABP-4/ap-2 genes
Article Main
Abstract
Obesity has emerged as a major health issue worldwide. Current research mainly focuses on how small bioactive compounds can influence the mechanism of transcription regulatory factors involved in the fat accumulation and weight gain process. Lagerstroemia speciosa plant is commonly used in traditional systems of medicine to combat obesity and diabetes. It contains major bioactive compounds, viz. pregnenolone, corosolic acid, fenretidinide, norlargerenol acetate, maslinic acid, olenoic acid and beta-sistosterol. The present study was undertaken to elucidate the role of L. speciosa bioactive compounds in obesity control by targeting FABP-4/ap-2, C/EBP-α, and PPAR-γ transcription factors that play a significant role in adipocyte biology and metabolism. The present study screened twenty-nine bioactive compounds against three targets using Autodock Vina, Autodock Tools. Discovery Studio was utilized to visualize the targeted proteins' ligand and amino acid interaction. In silico approach showed that screened bioactive compounds downregulate the expression of targeted transcriptional regulatory genes involved in the adipocyte differentiation mechanism. Pregnenolone, a major bioactive compound, scored binding free energy of -6.34, -7.58, and -6.22 kcal/mol with C/EBP-α, PPAR-γ, and FABP-4, respectively, compared to standard drug. Findings showed that these bioactive compounds play a crucial role in regulating adipogenesis and differentiation genes, proving their therapeutic importance as antiobesity agent. Although these findings are encouraging, extensive in vivo studies are essential to confirm efficacy, ensure safety, and investigate the therapeutic potential of these compounds for obesity treatment.
Article Details
Article Details
Keywords
Bioactive compounds, In-silico, Oesity, Transcriptional regulation (ap2/FABP-4, C/EBP-α and PPAR-γ)
References
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Chowdhury, M. A. R., Islam, M. R., & Muktadir, M. A. G. (2017). Thrombolytic activity of Lagerstroemia speciosa leaves. Discovery Phytomedicine, 4(4), 41-45.
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Faridah, F., Mumpuni, E., Purnomo, H., Laksmitawati, D. R., & Simanjuntak, P. (2024). Study of the antiobesity potential of chlorogenic acid through molecular docking. Journal of Social Research, 3(2), 628-639.
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Furuhashi, M. (2019). Fatty Acid-Binding Protein 4 in cardiovascular and metabolic diseases. Journal of Atherosclerosis and Thrombosis, 26(3), 216-232.
Gasmi, A., Noor, S., Menzel, A., Pivina, L., & Bjørklund, G. (2021). Obesity and insulin resistance: Associations with chronic inflammation, genetic and epigenetic factors. Current Medicinal Chemistry, 28(4), 800-826.
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Goyal, S., Sharma, M., & Sharma, R. (2022). Bioactive compound from Lagerstroemia speciosa: Activating apoptotic machinery in pancreatic cancer cells. 3 Biotech, 12(4), 96.
Graw, S., Chappell, K., Washam, C. L., Gies, A., Bird, J., Robeson, M. S., & Byrum, S. D. (2021). Multi-omics data integration considerations and study design for biological systems and disease. Molecular Omics, 17(2), 170-185.
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Hotamisligil, G. S., & Bernlohr, D. A. (2015). Metabolic functions of fabps—mechanisms and therapeutic implications. Nature Reviews Endocrinology, 11(10), 592-605.
Hou, W., Li, Y., Zhang, Q., Wei, X., Peng, A., Chen, L., & Wei, Y. (2009). Triterpene acids isolated from Lagerstroemia speciosa leaves as α‐glucosidase inhibitors. Phytotherapy Research: An International Journal Devoted to Pharmacological and Toxicological Evaluation of Natural Product Derivatives, 23(5), 614-618.
Huang, G. H., Zhan, Q., Li, J. L., Chen, C., Huang, D. D., Chen, W. S., & Sun, L. N. (2013). Chemical constituents from leaves of Lagerstroemia speciosa. Biochemical Systematics and Ecology, 51, 109-112.
Hussain, F., Ganguly, A., Hossain, M. S., & Rahman, S. A. (2014). Analgesic and anti-diarrhoeal activities of Lagerstroemia speciosa roots in experimental animal model. Dhaka University Journal of Pharmaceutical Sciences, 13(1), 57-62.
Jakab, J., Miškić, B., Mikšić, Š., Juranić, B., Ćosić, V., Schwarz, D., & Včev, A. (2021). Adipogenesis as a potential antiobesity target: A review of pharmacological treatment and natural products. Diabetes, Metabolic Syndrome and Obesity, 67-83.
Kapoor, S., Waldmann, H., & Ziegler, S. (2016). Novel approaches to map small molecule–target interactions. Bioorganic & Medicinal Chemistry, 24(15), 3232-3245.
Khutami, C., Sumiwi, S. A., Khairul Ikram, N. K., & Muchtaridi, M. (2022). The effects of antioxidants from natural products on obesity, dyslipidemia, diabetes and their molecular signaling mechanism. International Journal of Molecular Sciences, 23(4), 2056.
Kolakul, P., & Sripanidkulchai, B. (2017). Phytochemicals and anti-aging potentials of the extracts from Lagerstroemia speciosa and Lagerstroemia floribunda. Industrial Crops and Products, 109, 707-716.
Konappa, N., Udayashankar, A. C., Krishnamurthy, S., Pradeep, C. K., Chowdappa, S., & Jogaiah, S. (2020). GC–MS Analysis of phytoconstituents from Amomum nilgiricum and molecular docking interactions of bioactive serverogenin acetate with target proteins. Scientific Reports, 10(1), 16438.
Koshio, K., Murai, Y., Sanada, A., Taketomi, T., Yamazaki, M., Kim, T. S., Iwashina, T. (2012). Positive relationship between anthocyanin and corosolic acid contents in leaves of Lagerstroemia speciosa pars. Tropical Agriculture and Development, 56(2), 49-52.
Kumari, V. C., Ramu, R., Huligere, S. S., Patil, S. M., Nayakvadi, S., Bijoor, S., Wong, L. S. (2025). Fermented sugarcane juice-derived probiotic Levilactobacillus brevis ramulab54 enhances lipid metabolism and glucose homeostasis through PPAR-γ activation. Frontiers in Microbiology, 15, 1502751.
Lee, J. E., Cho, Y. W., Deng, C. X., & Ge, K. (2020). Mll3/MLL4-associated PAGR1 regulates adipogenesis by controlling induction of C/EBP β and C/EBP δ. Molecular and Cellular Biology, 40(17), e00209-00220.
Merzoug, A., Boucherit, H., & Chikhi, A. (2024). Application of molecular docking and drug-likeness prediction for the discovery of new antidiabetic agents. Pharmakeftiki, 36(1).
Michler, S., Schöffmann, F. A., Robaa, D., Volmer, J., & Hinderberger, D. (2024). Fatty acid binding to the human transport proteins FABP3, FABP4, and FABP5 from a ligand’s perspective. Journal of Biological Chemistry, 107396.
Montaigne, D., Butruille, L., & Staels, B. (2021). PPAR control of metabolism and cardiovascular functions. Nature Reviews Cardiology, 18(12), 809-823.
Moseti, D., Regassa, A., & Kim, W. K. (2016). Molecular regulation of adipogenesis and potential anti-adipogenic bioactive molecules. International journal of molecular sciences, 17(1), 124.
Nxumalo, K. A. (2023). Formulation, characterization and application of bio-inspired nano/composites coatings for postharvest preservation of horticultural crops. University of Johannesburg.
Pant, R., Firmal, P., Shah, V. K., Alam, A., & Chattopadhyay, S. (2021). Epigenetic regulation of adipogenesis in development of metabolic syndrome. Frontiers in Cell and Developmental Biology, 8, 619888.
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In-silico antiobesity activity of Lagerstroemia speciosa (L.) bioactive compounds by targeting transcriptional regulators PPAR-γ, C/EBP-α, and FABP-4/ap-2 genes. (2025). Journal of Applied and Natural Science, 17(2), 830-844. https://doi.org/10.31018/jans.v17i2.6643
