Potensi Senyawa Aktif Daun, Biji, dan Kulit Buah Alpukat (Persea americana Mill.) sebagai Inhibitor Enzim Tirosinase secara In Silico

Abstract

Melanosit adalah komponen penting pigmentasi kulit melalui kemampuan mereka untuk menghasilkan melanin dibantu enzim tirosinase yang merupakan enzim inti dalam melanogenesis. Senyawa fenolik dan flavonoid yang tinggi padadaun, biji dan kulit buah alpukat memiliki potensi sebagai ligan (inhibitor) tyrosinase related protein-1. Penelitian ini bertujuan menentukan senyawa aktif dari daun, biji, dan kulit buah alpukat yang berperan dalam menghambat aktivitas enzim tirosinase pada manusia sehingga dapat menghambat pembentukan melanin. Penelitian dilakukan dengan metode penambatan molekuler menggunakan software YASARA Structure. Hasil penelitian menunjukan dari 68 senyawa aktif daun, biji, dan kulit buah alpukat terdapat 11 senyawa aktif yang memiliki afinitas pengikatan terhadap tyrosinase related protein-1 yaitu kuersetin, epikatekin, apigenin, 3- Hydroxytyrosol, scopoletin, asam absisat, asam sitrat, asam koumarat, asam kuinik, vanillin, dan asam kafeik. Senyawa aktif asam absisat merupakan ligan dengan potensi penghambatan terbaik dengan energi bebas ikatan (∆G) -2.645 kkal/mol yang berinteraksi dengan 17 residu asam amino. Hasil penelitian dapat digunakan sebagai acuan dalam studi in vitro dan in vivo terhadap enzim human tyrosinase. Kata kunci: Alpukat, Inhibitor, Melanin, Penambatan Molekuler, Tirosinase

Melanocytes are an important component of skin pigmentation through their ability to produce melanin assisted by the enzyme tyrosinase which is a core enzyme in melanogenesis. The high phenolic and flavonoid compounds in the leaves, seeds and skin of avocados have potential as ligands (inhibitors) of tyrosinase related protein-1. This study aims to determine the active compounds from the leaves, seeds, and skin of avocadosthat play a role in inhibiting the activity of the tyrosinase enzyme in humans so that it can inhibit the formation of melanin. The research was conducted by molecular anchoring method using YASARA Structure software. The results showed that of the 68 active compounds of avocado leaves, seeds, and skins, there were 11 active compounds that had binding affinity for tyrosinase related protein-1, namely quarcetin, epicatechin, apigenin, 3- Hydroxytyrosol, scopoletin, abscisic acid, citric acid, coumaric acid. , quinic acid, vanillin, and caffeic acid. The active compound abscisic acid is the ligand with the best inhibitory potential with a bond free energy (∆G) of -2,645 kcal/mol which interacts with 17 amino acid residues. The research results can be used as a reference in in vitro and in vivo studies of the human tyrosinase enzyme. Keywords: Avocado, Inhibitor, Melanin, Molecular Docking, Tyrosinase