Uji In-Silico Aktivitas Melanogenesis Senyawa Ternatin Bunga Kembang Telang (Clitoria ternatea) terhadap Reseptor Tirosinase

Sintya Suherlan, Taufik Muhammad Fakih, Diar Herawati Effendi

Abstract


ABSTRACT: Melanogenesis is the formation of the melanin pigment produced by melanocytes. There is a cause of melanogenesis caused by sun exposure. Tyrosinase receptors are receptors that are responsible for antioxidants as melanogenesis. Ternatin is a flavonoid compound. Ternatin binds to tyrosinase receptors to aid in the inhibition of melanogenesis. The purpose of this study was to perform an in silico test to test the activity of ternatin compounds in telang flower (Clitoria ternatea) as melanogenesis activity. To find out the interaction model, it is necessary to look at the binding site parameters. In this study, the molecules of the test compound were optimized geometrically used GaussView 5.0 and Gaussian 0.9 software. Identification of interactions between ternatin A1, ternatin B1, ternatin C1 and ternatin D1 agained tyrosinase receptors used the PatchDock algorithm. The interactions that occurred were then observed used the Biovia Discovery Studio 2019 software. Based on the results of the molecular anchoring simulation, the best results were showed by ternatin A1 with an ACE score of -567.79 kj/mol, while ternatin B1 -180.15 kj/mol, ternatin C1 -142.98 kj/mol and ternatin D1 - 98.64 kJ/mol. As a result, ternatin A1 was predicted  as a candidate for antimelanogenesis.

Keywords: Antimelanogenesis, Ternatin, Tyrosinase, In-Silico

ABSTRAK : Melanogenesis merupakan pembentukan pigmen melanin yang diproduksi oleh sel melanosit. Terdapat penyebab melanogenesis yaitu disebabkan oleh paparan sinar matahari. Reseptor tirosinase merupakan reseptor yang bertanggung jawab terhadap antioksidan sebagai melanogenesis. Ternatin merupakan senyawa golongan flavanoid. Ternatin berikatan dengan reseptor tirosinase untuk membantu dalam penghambatan terjadinya melanogenesis.Tujuan dari penelitian ini untuk melakukan uji in silico untuk menguji aktivitas senyawa ternatin pada bunga kembang telang (Clitoria ternatea) sebagai aktivitas melanogenesis. Untuk mengetahui model interaksinya maka harus dilihat parameter binding site. Dalam penelitian ini molekul senyawa uji terlebih dahulu dioptimasi geometri dengan menggunakan perangkat lunak GaussView 5.0. 8 dan Gaussian09. Dilakukan identifikasi terhadap interaksi yang terjadi antara ternatin A1, ternatin B1, ternatin C1 dan ternatin D1 terhadap reseptor tirosinase menggunakan algoritma PatchDock. Interaksi yang terjadi diamati lebih lanjut menggunakan software Biovia Discovery Studio 2019. Berdasarkan hasil dari simulasi penambatan molekular, hasil yang paling baik ditunjukan senyawa ternatin A1 dengan hasil ACE score -567,79kj/mol, sementara ternatin B1 -180,15 kj/mol, ternatin C1 -142,98 kj/mol dan ternatin D1 -98,64 kj/mol. Dengan demikian, ternatin A1 diprediksi dapat digunakan sebagai kandidat antimelanogenesis.

Kata Kunci: Antimelanogenesis, Ternatin, Tirosinase, In-Silico


Keywords


Antimelanogenesis, Ternatin, Tirosinase, In-Silico

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DOI: http://dx.doi.org/10.29313/.v0i0.31566

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