INTERACTION BETWEEN ACTIVE COMPOUNDS FROM Aegle marmelos CORREA AS ANTI INFLAMMATION AGENT WITH COX-1 AND COX-2 RECEPTOR

https://doi.org/10.22146/tradmedj.7983

Dani Dwi Agistia(1), Hari Purnomo(2), Maulana Tegar(3), Agung Endro Nugroho(4*)

(1) Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Gadjah Mada
(2) Department Medicinal Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada
(3) Department Medicinal Chemistry, Faculty of Pharmacy, Universitas Gadjah Mada
(4) Department of Pharmacology and Clinical Pharmacy, Faculty of Pharmacy, Universitas Gadjah Mada
(*) Corresponding Author

Abstract


The compounds in Aegle marmelos have an activity as anti inflammation. The objective of this study is to evaluate six active compounds in Aegle marmelos Correa, (E,R)- Marmin, skimmianine, (S)-aegeline, aurapten, zeorin, and dustanin as anti inflammation to the COX-1 and COX-2 as target receptors. Method: Molecular docking was done with PLANTS. Ligand preparation used MarvinSketch, and protein preparation was done by using YASARA. The result was marmin, skimmianine, aegeline, aurapten, zeorin, and dustanin have interaction with Arg120, tyr 355, and Ile 523 in COX-1 and Ser353, Arg 513, and Ser 530 in COX-2. Based on the result of molecular docking, active compounds in Aegle marmelos Correa have potency as anti inflammation agent.


Keywords


Marmin, Antiinflamasi, Ligand, COX-1, Docking



References

Arul, V., Miyazaki, S., and Dhananjayan, R., 2005, Studies on The Antiinflammatory, Antipyretic and Analgesic Properties of The Leaves of Aegle marmelos Correa. J. Ethnopharmacol., 96(1): 159-163 cit Anas, Y., 2011, Pengaruh Marmin, Senyawa Aktif Aegle marmelos Correa terhadap Otot Polos Trakea Marmut Terisolasi, Tesis, Fakultas Farmasi Universitas Gadjah Mada, Yogyakarta

Benni, J.M., Jayanthi, M.K., and Suresha, R.N., 2011, Evaluation of the Anti-inflammatory Activity of Aegle marmelos (Bilwa) Root, Indian J Pharmacol, 43(4) : 393-397

Botting, R. M., 2006, Inhibitors of Cyclooxigenases : Mechanisms, Selectivity and Uses, Journal of Physiology and Pharmacology, 57 : 113-124

Djikstra, D., Stark, H., Chazot, D.L., Shenton, F.C., Leurs, R., Wertel, T. and Gutzmer, R., 2008, Human Inflammatory Dendritic Epidermal Cells Express a Functional Histamine H4 Receptor, J Invest, Dermatol, 128(7) : 1696-1703

Escribano, L., Akin, C., Castells, M., and Schwartz, L.B., 2006, Current Options in the Treatment of Mast Cell Mediator-related Symptoms in Mastocytosis, Inflamm Allergy Drugs Targets, 5(1) : 61-77

Istyastono, E.P., 2003, Quantitative Structure Acivity Relationship Analysis of Curcumin and its derivatives as GST Inhibitors Based on Computational chemistry Calculation, Indo. J, Chem, 3(3) : 179-186

Jain, A. N. and Nicholls, A., 2008, Recommendations for Evaluations of Computational Methods, J. Comput. Aided Mol. Des., 22 : 133-139

Jansen, O., Akhmedjanova, V., Angenot, L., Balansard, G., Chariot, A., Ollivier, E. et al., 2006, Screening of 14 alkaloids Isolated from Haplophyllum A. Juss. for Their Cytotoxic Properties, J. Ethnopharmacol., 105(1-2) : 241-245

Kartasasmita, R. E., 2002, Perkembangan Obat Antiradang Bukan Steroid, Acta Pharmaceutica Indonesia, 27(4) : 76-81

Kirchmair, J., Markt, P., Distinto, S., Wolber, G., and Langer, T., 2008, Evaluation of The Performance of 3D Virtual Screening Protocols : RMSD Comparisons, Enrichment Assessments, and Decoy Selection---What Can We Learn from Earlier Mistakes?, J. Comput. Aided Mol Des, 22 : 213-228

Kitchen, D.B., 2004, Docking and Scoring in Virtual Screening for Drug Discovery : Methods and Applications, Albany Molecular Research, Inc. (AMRI), New York, USA



DOI: https://doi.org/10.22146/tradmedj.7983

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