The Potential Role of 5-Methyl-2 (3H)-Furanone in Tamarindus indica as Lipoxygenase (LOX) Inhibitor: in Silico Study
Abstract
Abstract. Tamarindus indica is the Fabaceae family that is used in the pharmaceutical theuraphic because it contains polyphenols. One of the studies is to have anti-inflammatory properties. When inflammation occurs, , the lipoxygenase (LOX) pathway will be formed as a mediator of acute inflammation. Reducing inflammation, it is necessary to control genes that play a role in increasing inflammation, one of which is LOX. This study aims to analyze the potential of the 5-Methyl-2 (3H)-Furanone compound on LOX action. The compound 5-Methyl-2 (3H) -Furanone (CID 11559) was downloaded from the PubChem database. The 5-LOX protein was downloaded from Protein Data Bank (PDB 6N2W) and and prepared by removing ligands and molecules that bind to Discovery Studio V19.1.0.18287. The compounds and proteins were interacted with the Vina autodock software integrated in the PyRX software and analyzed using Discovery Studio V19.1.0.18287. The results showed 5-Methyl-2 (3H) -Furanone binds to lipoxygenase on the active sites of Gln329, Arg518, Ile330, Leu153, Glu146, Asn328, and Asp290. The three bioactive compounds tamarin bind to lipoxygenase with hydrogen, hydrophobic and van der Waals forces. The ligands and proteins that are formed produce energy -6Kcal/mol. The interactions that occur between compounds contained in Tamarindus indica have potential as inhibitors of LOX and are predicted to be used as compounds for inflammatory therapy.
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References
Norvegicus Strain Wistar Model Type 2 Diabetes Mellitus (T2DM). Acta Informatica Medica, 26(2), 87–92. https://doi.org/10.5455/aim.2018.26.87-92. Bare, Y., Sari, D. R. T., Rachmad, Y. T., Krisnamurti, G. C., & Elizabeth, A. (2019). In Silico Insight the Prediction of Chlorogenic Acid in Coffee through Cyclooxygenase-2 (COX2) Interaction. Biogenesis: Jurnal Ilmiah Biologi, 7(2), 100–105. https://doi.org/10.24252/bio.v7i2.9847. Ferreira De Freitas, R., & Schapira, M. (2017). A systematic analysis of atomic protein-ligand interactions in the PDB. MedChemComm, 8(10), 1970–1981. https://doi.org/10.1039/c7md00381a. Havinga, R. M., Hartl, A., Putscher, J., Prehsler, S., Buchmann, C., & Vogl, C. R. (2010). Tamarindus indica L. (Fabaceae): Patterns of use in traditional African medicine. Journal of Ethnopharmacology, 127(3), 573–588. https://doi.org/10.1016/j.jep.2009.11.028. Novoseletsky, V. N., Pyrkov, T. V., & Efremov, R. G. (2010). Analysis of hydrophobic interactions of antagonists with the beta2adrenergic receptor. SAR and QSAR in Environmental Research, 21(1–2), 37–55. https://doi.org/10.1080/10629360903560637. Putri, C. R. H. (2017). The Potency and Use of Tamarindus indica on Various Therapies. Jurnal Ilmiah Kedokteran Wijaya Kusuma, 3(2), 40. https://doi.org/10.30742/jikw.v3i2.22. Raharjo, S. J., Mahdi, C., Nurdiana, N., Kikuchi, T., & Fatchiyah, F. (2014). Binding Energy Calculation of Patchouli Alcohol Isomer Cyclooxygenase Complexes Suggested as COX-1/COX-2 Selective Inhibitor. Advances in Bioinformatics, 2014(ID850628), 1–12. https://doi.org/10.1155/2014/850628. Saideswara Rao, Y., & Mary Mathew, K. (2012). Tamarind. In Handbook of Herbs and Spices (pp. 512–533). Elsevier. https://doi.org/10.1533/9780857095688.512. Zhang, Y., Ho, C.-T., & Khurana, A. L. (1990). Volatile Flavor Components of Tamarind (Tamarindus indica L.). Journal of Essential Oil Research, 2(4), 197–198. https://doi.org/10.1080/10412905.1990.9697860.
