Penambatan Molekuler Senyawa Bioaktif Daun Wungu (Graptophyllum Pictum (L) Griff) sebagai Inhibitor Tirosinase

Abdul Aziz; Dimas Andrianto; Mega Safithri

doi:10.24198/ijpst.v9i2.36219

Penambatan Molekuler Senyawa Bioaktif Daun Wungu (Graptophyllum Pictum (L) Griff) sebagai Inhibitor Tirosinase

Abdul Aziz, Dimas Andrianto, Mega Safithri

Sari

Melasma is a skin disorder characterized by hyperpigmentation of the skin in areas exposed to sunlight and is included in the dominant skin disorder category in several countries. Meanwhile, data from the Food and Drug Administration shows that cosmetic products have progressed from 0.01% to 57.4% in terms of registered products over the last six years. Currently, melasma treatment and cosmetic applications as a whitening agent were carried out by regulating tyrosinase activity through the use of compounds such as kojic acid which poses a health risk. Therefore, it was necessary to have other alternatives that can regulate tyrosinase activity without harming health. This study aimed to determine inhibitory effects of wungu leaf (Graptophyllum pictum (L) Griff) bioactive component as an agent to inhibit tyrosinase activity through a molecular docking approach. A total of 28 wungu leaves bioactive components as a result of the analysis of Gas Chromatography-Mass Spectrometry (GC-MS) and Gas Chromatography-Flame Ionization Detector (GC-FID) were tested for their inhibitory effects on tyrosinase activity. Linolenic acid and phytol were ligands that have the best inhibition on tyrosinase enzyme activity with affinity energies of -5.8 kcal/mol and -5.4 kcal/mol, respectively, and inhibition constants of 55.718 M and 109.489 M.

Kata Kunci

Graphtophyllum pictum L. Grift; hyperpigmentation; melanogenesys; molecular docking; tyrosinase

Teks Lengkap:

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Referensi

Arrowitz C, Schoelermann AM, Mann T, Jiang LI, Weber T. Effective tyrosinase inhibition by thiamidol results in significant improvement of mild to moderate melasma. J Invest Dermatol. 2019;139(8):1691–98.

Handel AC, Miot LDB, Mio HA. Melasma : a clinical and epidemiological review. An Bras Dermatol. 2014;89(5):771–82.

Zolghadri S, Bahrami A, Hassan Khan MT, Munoz-Munoz J, Garcia-Molina F, Garcia-Canovas F, Saboury AA. A comprehensive review on tyrosinase inhibitors. J Enzyme Inhib Med Chem. 2019;34(1):279–309.

[BPOM] Badan Pengawas Obat dan Makanan. Statistik Produk yang Mendapat Persetujuan Izin Edar. Jakarta (ID): BPOM; 2021.

Chusiri Y, Wongpoomchai R, Kakehashi A, Wei M, Wanibuchi H, Vinitketkumnuan U, Fukushima S. Non-genotoxic mode of action and possible threshold for hepatocarcinogenicity of Kojic acid in F344 rats. Food Chem Toxicol. 2011;49(2):471–76.

Miyazawa M, Tamura N. Inhibitory Compound of Tyrosinase Activity from the Sprout of Polygonum hydropiper L. (Benitade). Biol Pharm Bull. 2007;30(3):595–97.

Owolabi JO, Fabiyi OS, Adelakin LA, Ekwerike MC. Effects of skin lightening cream agents – hydroquinone and kojic acid , on the skin of adult female experimental rats. Clin Cosmet Investig Dermatol. 2020;13:283–89.

Trott O, Olson AJ. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading. J Comput Chem. 2010;31(2):455–61.

Ochieng PJ, Sumaryada T, Okun D. Molecular docking and pharmacokinetic prediction of herbal derivatives as maltase-glucoamylase inhibitor. Asian J Pharm Clin Res.;10(9):392-98.

Anitha K, Gopi G, Girish, Kumar PS. Molecular docking study on dipeptidyl peptidase-4 inhibitors. Int J Res Dev Pharm Life Sci. 2013;2(5):602–10.

Purnomo H. Kimia Komputasi Uji In Silico Senyawa Anti Kanker. Yogyakarta: Pustaka Pelajar; 2013.

Ortiz CLD, Completo GC, Nacario RC, Nellas RB. Potential Inhibitors of galactofuranosyltransferase 2 (GlfT2): molecular docking , 3D-QSAR , and in silico ADMETox studies. Sci Reports Nat Res. 2019;9(17096):1–28.

Jiangseubchatveera N, Liawruangrath B, Liawruangrath S. The Chemical Constituents and the Cytotoxicity , Antioxidant and Antibacterial Activities of the Essential Oil of Graptophyllum pictum ( L .) Griff . J Essent Oil Bear Plants. 2015;18(1):11–17.

Lai X, Wichers HJ, Soler-Lopez M, Dijkstra BW. Enzyme structure and function very important paper structure of human tyrosinase related protein 1 reveals a binuclear zinc active site important for melanogenesis. Angew Chem Int. 2017;56:9812–15.

Najibi MS, Maadooliat M, Zhou L, Huang JZ, Gao X. Protein structure classification and loop modeling using multiple Ramachandran distributions. Comput Struct Biotechnol J. 2017;15:243–54.

Lipinski CA, Lombardo F, Dominy BW, Feeney PJ. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv Drug Deliv Rev. 2012;64:4–17.

Cogliano VJ, Baan R, Straif K, Grosse Y, Lauby-secretan B, Ghissassi F El, Bouvard V, Benbrahim-tallaa L, Guha N, Freeman C, Galichet L, Wild CP. Preventable exposures associated with human cancers. J Natl Cancer Inst. 2011;103:1827–39.

Carugo O, Djinović-Carugo K. Half a century of Ramachandran plots Half a century of Ramachandran plots. Acta Crystallogr Sect D Biol Crystallogr.2013;68:1333–41.

Lu H, Yin D, Ye Y, Luo H, Geng L, Li H. Correlation between protein sequence similarity and X-ray diffraction quality in the protein data bank. Protein Pept Lett. 2009;16:50–55.

Dhanik A, Mcmurray JS, Kavraki LE. DINC : A new AutoDock-based protocol for docking large ligands. Bio Med Cent Struct Biol. 2013;13(1):1–14.

DOI: https://doi.org/10.24198/ijpst.v9i2.36219