Virtual Screening of the Active Components of Garcinia mangostana Linn. Potentially Inhibiting the Interaction of Advanced Glycation End-products and their Receptor


  • Muhammad Ali Faisal Doctoral Program of Medical Science, Faculty of Medicine, Universitas Brawijaya, Malang, Indonesia; Department of Ophthalmology, Faculty of Medicine, Lambung Mangkurat University, Banjarmasin, Indonesia
  • Ika Kustiyah Oktaviyanti Department of Pathology Anatomy, Faculty of Medicine, Lambung Mangkurat University, Banjarmasin, Indonesia
  • Hidayat Sujuti Department of Biochemistry, Faculty of Medicine, Brawijaya University, Malang, Indonesia
  • Achmad Rudijanto Department of Internal Medicine, Faculty of Medicine, Brawijaya University, Malang, Indonesia



Advanced glycation end-products-receptor for advanced glycation end-products inhibitor, Garcinia mangostana L., in silico, Xanthones


BACKGROUND: Mangosteen (Garcinia mangostana L.) is a plant that contains various secondary metabolite compounds, one of which is xanthone. Xanthone in mangosteen has a variety of beneficial biological and medical effects, one of which is an antioxidative, anti-inflammatory, and antiapoptotic agent.

AIM: The aim of the study was to perform the selection of any xanthone in mangosteen pericarp that have potentially inhibit the interaction of AGEs and RAGE.

METHODS: The analysis was made in silico by docking method using software Hex 8.0. The docking was done between AGEs-RAGE, also between nine active compounds of G. mangostana with RAGE. The active compounds analyzed here were including α-mangostin, β-mangostin, γ-mangostin, mangostanol, garcinone D, 1,6-Dihydroxy-3,7-dimethoxy-2-(3-methylbut-2-enyl)-xanthone, gartanin, 1-isomangostin, and 3-isomangostin. Further analysis was performed to see the interactions formed between ligands with their receptors using software LigPlus+ and Discovery Studio 4.1.

RESULTS: 1-isomangostin, 3-isomangostin, γ-mangostin, mangostanol, D-garcinone, and gartanin have potentially could inhibit the interaction and activity of imidazole in RAGE through a competitive binding mechanism.

CONCLUSIONS: The inhibition of imidazole-RAGE activity by the mangosteen active components may inhibit the pathobiology of AGEs-RAGE axis.


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Akbar IZ, Permatasari N, Soeatmadji DW, Kalim H. Reactive oxygen species and cell morphology of MC3T3E1 preosteoblast cell line exposed to methylgyoxal by laser scanning confocal microscopy. Oxid Antioxid Med Sci. 2013;2(1):65-8. DOI:

Ramasamy R, Vannucci SJ, Yan SS, Herold K, Yan SF, Schmidt AM. Advanced glycation end products and RAGE: A common thread in aging, diabetes, neurodegeneration, and inflammation. Glycobiology. 2005;15(7):16-28. PMid:15764591 DOI:

Avery NC, Bailey AJ. The effects of the Maillard reaction on the physical properties and cell interactions of collagen. Pathol Biol. 2006;54(7):387-95. PMid:16962252 DOI:

Yamamoto H, Watanabe T, Yamamoto Y, Yonekura H, Munesue S, Harashima A, et al. RAGE in diabetic nephropathy. Curr Mol Med. 2007;7(8):752-7. PMid:18331233 DOI:

Guglielmotto M, Aragno M, Tamagno E, Vercellinatto I, Visentin S, Medana C, et al. AGEs/RAGE complex upregulates BACE1 via NF-κB pathway activation. Neurobiol Aging. 2012;33(1):13-27. PMid:20638753 DOI:

Sitkiewicz E, Tarnowski K, Poznański J, Kulma M, Dadlez M. Oligomerization interface of RAGE receptor revealed by MS-monitored hydrogen deuterium exchange. PLoS One. 2013;8(10):e76353. PMid:24098480 DOI:

Win MT, Yamamoto Y, Munesue S, Saito H, Han D, Motoyoshi S, et al. Regulation of RAGE for attenuating progression of diabetic vascular complications. Exp Diabetes Res. 2012;2012:894605. PMid:22110482 DOI:

Basta G, Schmidt AM, De Caterina R. Advanced glycation end products and vascular inflammation. Implications for accelerated atherosclerosis in diabetes. Cardiovasc Res. 2004;63(4):582- 92. PMid:15306213 DOI:

Yan SD, Schmidt AM, Anderson GM, Zhang J, Brett J, Zou YS, et al. Enhanced cellular oxidant stress by the interaction of advanced glycation end products with their receptors/binding proteins. J Biol Chem. 1994;269:9889-97. PMid:8144582 DOI:

Lander HL, Tauras JM, Ogiste JS, Hori O, Moss RA, Schmidt AM. Activation of the receptor for advanced glycation end products triggers a p21ras-dependent mitogen-activated protein kinase pathway regulated by oxidant stress. J Biol Chem. 1997;272(28):17810-4. PMid:9211935 DOI:

Owen WF Jr., Hou FF, Stuart RO, Kay J, Boyce J, Chertow GM, et al. β2-microglobulin modified with advanced glycation end products modulates collagen synthesis by human fibroblasts. Kidney Int. 1998;53(5):1365-73. PMid:9573554 DOI:

Park L, Raman KG, Lee KJ, Yan L, Ferran LJ Jr., Chow WS, et al. Suppression of accelerated diabetic atherosclerosis by the soluble receptor for advanced glycation end products. Nat Med. 1998;4(9):1025-31. PMid:9734395 DOI:

Ovale-Magallanes B, Eugenio-Perez D, Pedraza-Chaverri J. Medicinal properties of mangosteen (Garcinia mangostana L): A comprehensive update. Food Chem Toxicol. 2017;109(1):102- 22. PMid:28842267 DOI:

Faisal MA, Octavianty IK, Sujuti H, Rudijanto A. Anticataract Activity of Ethanolic Extract of Garcinia Mangostana Linn. Pericarp on Glucose Induced Cataractogenesis in Goat Lens. Open Access Maced J Med Sci. 2020;8:571-7. DOI:

O’Boyle N, Banck M, James CA, Morley C, Vandermeersch T, Hutchison GR. Open Babel: An open chemical toolbox. J Cheminform. 2011;3:33. PMid:21982300 DOI:

Arnold K, Bordoli L, Kopp J, Schwede T. The SWISS-MODEL workspace: A web-based environment for protein structure homology modelling. Bioinformatics. 2006;22(2):195-201. PMid:16301204 DOI:

Kiefer F, Arnold K, Kunzli M, Bordoli L, Schwede T. The SWISS-MODEL repository and associated resources. Nucleic Acids Res. 2009;37:387-92. PMid:18931379 DOI:

Macindoe G, Mavridis L, Venkatraman V, Devignes MD, Ritchie DW. HexServer: An FFT-based protein docking server powered by graphics processors. Nucl Acids Res. 2010;38:445- 9. PMid:20444869 DOI:

Laskowski RA, Swindells MB. LigPlot+: Multiple ligand-protein interaction diagrams for drug discovery. J Chem Inf Model. 2011;51(10):2778-86. PMid:21919503 DOI:

Wolber G, Langer T. LigandScout: 3-D pharmacophores derived from protein-bound ligands and their use as virtual screening filters. J Chem Inf Model. 2005;45(1):160-9. PMid:15667141 DOI:

Xie J, Mendez JD, Mendez-Valenzuela V, Aguilar- Hernandez MM. Cellular signalling of the receptor for advanced glycation end products (RAGE). Cell Signal. 2013;25(11):2185- 97. PMid:23838007 DOI:

Arunan E, Desiraju GR, Klein RA, Sadlej J, Scheiner S, Alkorta I, et al. Definition of the hydrogen bond (IUPAC recommendations 2011). Pure Appl Chem. 2011;83(8):1637-41. DOI:

Xue J, Rai V, Frolov S, Singer D, Chabierski S, Xie J, et al. Advanced glycation end product (AGE) recognition by the receptor for AGEs (RAGE). Structure. 2011;19(5):722-32. PMid:21565706 DOI:

Jandeleit-Dahm K, Watson A, Soro-Paavonen A. The AGE/ RAGE axis in diabetes-accelerated atherosclerosis. Clin Exp Pharmacol Physiol. 2008;35(3):329-34. PMid:18290873 DOI:

Peres V, Nagem TJ, de Oliveira FF. Tetraoxygenated naturally occurring xanthones. Phytochemistry. 2000;55(7):683-710. PMid:11190384 DOI:

Vieira LM, Kijjoa A. Naturally-occurring xanthones: Recent developments. Curr Med Chem. 2005;12(21):2413-46. PMid:16250871 DOI:

Schmid W. Ueber das mangostin. Liebigs Ann Chem. 1855;93(1):83-9. DOI:

Jefferson AQ, Scheimann F, Sim KY. Isolation of γ-mangostin from Garcinia mangostana and preparation of the natural mangostins by selective demethylation. Aust J Chem. 1970;23:2539-43. DOI:

Sen AK, Sarkar KK, Majumder PC, Banerji N. Garcinone-D, a new xanthone from Garcinia mangostane Linn. Indian J Chem. 1986;25B:1157-8.

Chairungsrilerd N, Takeuchi K, Ohizumi Y, Nozoe S, Ohta T. Mangostanol, a prenyl xanthone from Garcinia mangostana. Phytochemistry. 1996;43(5):1099-102. s0031-9422(96)00410-4 DOI:

Mahabusarakam W, Wiriyachtra P, Taylor W. Chemical constituents of Garcinia mangostana. J Nat Prod. 1987;50(3):474-8. DOI:

Asai F, Iinuma M, Tanaka T, Tosa H. A xanthone from pericarps of Garcinia mangostana. Phytochemistry. 1995;39:943-4. DOI:

Nakatani K, Nakahata N, Arakawa T, Yasuda H, Ohizumi Y. Inhibition of cyclooxygenase and prostaglandin E2 syntesis by c-mangostin, a xanthone derivative in mangosteen, in C6 rat glioma cells. Biochem Pharmacol. 2002;63(1):73-9. PMid:11754876 DOI:

Shalini K, Sharma PK, Kumar N. Imidazole and its biological activities: A review. Chem Sin. 2010;1(3):36-47. Available from:




How to Cite

Faisal MA, Oktaviyanti IK, Sujuti H, Rudijanto A. Virtual Screening of the Active Components of Garcinia mangostana Linn. Potentially Inhibiting the Interaction of Advanced Glycation End-products and their Receptor. Open Access Maced J Med Sci [Internet]. 2020 Nov. 21 [cited 2024 Jul. 21];8(A):921-7. Available from:

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