MOLECULAR DOCKING COMPOUNDS IN METHANOL EXTRACT OF MANGO LEAVES (Mangifera indica L.) AS ANTI-INFLAMMATORY AGENT
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Previous studies have shown that mango has anti-inflammatory properties. Anti-inflammatory drugs are compounds or medicines used to treat diseases caused by inflammation. The most commonly used anti-inflammatory drug is a non-steroidal anti-inflammatory drug (NSAID). The drug works by inhibiting the enzyme cyclooxygenase (COX). The purpose of this study was to determine the profile metabolites present in the methanol extract of mango leaves and their interaction with the COX enzyme. This study includes an analysis of the compounds contained in the methanol extract of mango leaves using LCMS / MS and molecular docking studies of these compounds. Compounds detected by MS include C26H24O14, C45H84O14, Khellol-β-D-glucoside, Mangiferin, and Nevadensin-5-β-D-glucoside. Analysis of docking result was based on ΔG and Ki and the binding interactions that occur. Compounds that are compatible with COX1 and COX2 are Khellol βD glucoside with G and Ki values of 7.49 kcal/mol and 3.23 µM and 8.32 kcal/mol and 0.7919 µM, respectively. Through the molecular docking process, it was confirmed that khellol β-D-glucoside may be activated as an anti-inflammatory agent.
Alseekh, S., Perez de Souza, L., Benina, M., & Fernie, A. R., 2020, The style and substance of plant flavonoid decoration; towards defining both structure and function. Phytochemistry, 174(March).
Anisa, N., Amaliah, N.A., Haq, P.M.A., dan Arifin, A.N., 2019, Efektifitas Anti-Inflamasi Daun Mangga (Mangifera indica) Terhadap Luka Bakar Derajat Dua. Jurnal Sainsmat, 8(1): 1-7.
Bandgar, B. P., & Gawande, S. S., 2010, Synthesis and biological screening of a combinatorial library of β-chlorovinyl chalcones as anticancer, anti-inflammatory and antimicrobial agents. Bioorganic and Medicinal Chemistry. 2010; 18 (5): 2060-2065.
Benouis, S., Ferkous, F., Kraim, K., Allali, A., & Saihi, Y., 2010, Molecular docking studies on gingerol analogues toward mushroom tyrosinase. Journal of the Chemical Society of Pakistan, 42: 6.
Brooijmans, N., Mobilio, D., Walker, G., Nilakantan, R., Denny, R. A., Feyfant, E., Diller, D., Bikker, J., & Humblet, C., 2010, A structural informatics approach to mine kinase knowledge bases, Drug Discovery Today, 15, 5-6 , 203-209
Chaleckis, R., Meister, I., Zhang, P., & Wheelock, C. E., 2019, Challenges, progress and promises of metabolite annotation for LC–MS-based metabolomics. Current Opinion in Biotechnology, 55, 44–50.
Igbari, A. D., Nodza, G. I., Adeusi, A. D., & Ogundipe, O. T., 2019, Morphological characterization of mango (Mangifera indica L.) cultivars from south-west Nigeria. Ife Journal of Science, 21(1), 155.
Maseda, D., & Ricciotti, E., 2020, NSAID–Gut Microbiota Interactions. In Frontiers in Pharmacology.
Rusdiana, T., & Akbar, R., 2020, Perkembangan Terkini Terapi Antikoagulan Pada Pasien Covid-19 Bergejala Berat. Jurnal Sains Farmasi & Klinis. 7 (3): 248-253.
Saputra, D. P. D., 2018, Molecular Docking Sianidin dan Peonidin sebagai Antiinflamasi pada Aterosklerosis Secara In Silico. Jurnal Farmasi Udayana, 7(1), 28.
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