Endang Lukitaningsih(1*), Aditya Wisnusaputra(2), B. S. Ari Sudarmanto(3)

(1) Faculty of Pharmacy, Universitas Gadjah Mada
(2) Faculty of Pharmacy, Universitas Gadjah Mada
(3) Faculty of Pharmacy, Universitas Gadjah Mada
(*) Corresponding Author


Bengkoang has been widely used in the cosmetics industry as a whitening agent. Based on research by Lukitaningsih (2009), bengkoang contains 6 active compounds that  acts as a inhibitors of the Aspergillus oryzae (TyrAo) tyrosinase enzyme. However, the interaction between the active compounds in bengkoang and the enzyme tyrosinase has not been known yet. Interaction between bengkoang's active compounds and TyrAo enzyme can be identified by computational studies (in silico). The interaction is conducted using homology modeling and molecular docking. Homology modeling performed to design a three-dimensional (3D) model of Aspergillus oryzae tyrosinase enzyme (TyrAo) using a template form of known 3D structure of TyrAb enzyme (PDBID: 2Y9X). TyrAo model used as target macromolecules in molecular docking method. Molecular docking method is a method to describe ligand (active compounds) position on the active receptor (TyrAo model). Based on the docking results, it is known that residues interacting on the active site of tyrosinase enzyme were Thr275 and His294 residues. The Thr275 made a hydrogen bonding, while the His294 residue made a hydrophobic interaction on the aromatic ring. Experiments in silico and in vitro have been done; the results exhibited a good correlation of them with R2 value of -0.8366. This correlation indicates that the activity of the active compounds in Bengkoang was similar with the results of them in silico and in vitro studies.


anti tyrosinase, homology modeling, Bengkoang (Pachyrrhizus erosus), molecular docking


Ahmed, A., Kazemi, S., Gohlke, H., 2007, Protein Flexibility and Mobility in Structure-Based Drug Design, Disertation, Frankfurt Germany, JW Goethe-University

Anonim, 2010, Peraturan Kepala Badan Pengawas Obat dan Makanan Republik Indonesia, Nomor Hk., Jakarta, hal 2-9

Anonim, 2011, Tyrosine Biosynthetic Pathway, show_pathway_map00350

Aroca, P., Urabe, K., Kobayashi, T., Taukamoto, K., Hearing, V.J., 1993, Melanin biosynthesis patterns following hormonal stimulation, J. Bio. Chem., 268(34): 25650-5

Buda. A., and Jarynowski, A., 2010, Life-time of correlations and its applications, vol.1. Wydawnictwo Niezalezne: 5–21, Wikipedia,

Claverie, J. and Notredame, C., 2006, Bioinformatic for Dummies, 2nd edition, Wiley Publishing Inc., Indiana

Drenth, J., 2007, Principles of Protein X-ray Crystallography, Springer Science+Business Media LLC, New York

Ismaya, W.T., Rozeboom, H.J., Weijn, A., Mes, J.J., Fusetti, F., Wichers, H.J., Dijkstra, B.W., 2011, Crystal Structure of Agaricus bisporus Mushroom Tyrosinase: Identity of the Tetramer Subunits and Interaction with Tropolone, ACS publications, Biochemistry, 50: 5477-5486

Lukitaningsih ,E., 2009, The exploration of whitening and sun screening compounds in bengkoang roots (Pachyrhizus erosus), Disertation, Würzburg Deutsch, Julius-Maximillians-Universität

Miller, J.N., and Miller, J.C., 2010, Statistics and Chemometrics for Analytical Chemistry, 5th ed., Pearson Education Limited, U.K. London

Sánchez, R., Šali, A., 2000, Comparative Protein Structure Modeling–Introduction and Practical Examples with Modeller, dalam Webster DM. (Ed.) Methods in Molecular Biology, Vol. 143: Protein Structure Prediction–Methods and Protocol. 97-129. Humana Press Inc., Totowa, New Jersey

Sippl, M.J., 1993, Recognition of Errors in Three-Dimensional Structures of Proteins, Proteins, 17: 355-362

Svensson, C.K., Cowen, E.W., Gaspari, A.A., 2000, Cutaneus Drug Reactions, Pharmacol Rev, 53:357-79

Wiederstein, M. and Sippl, M.J., 2007, ProSa-Web: Interactive Web Service for The Recognition of Errors In The Three-Dimensional Structures of Protein, Nucleic Acids Res, 35:407-410

Wisnusaputra, A., 2012, Skrining In Silico Senyawa Aktif yang Terkandung dalam Bengkoang (Pachyrrhizus erosus) sebagai Antitirosinase pada Aspergillus Oryzae: Studi Komputasional dengan Homology Modeling dan Molecular Docking, Skripsi, Jogjakarta, Fakultas Farmasi UGM


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