POTENSI SENYAWA AKTIF BUNGA, KULIT DAUN DAN GETAH Aloe barbadensis Miller. TERHADAP PENGHAMBATAN ENZIM TYROSINASE

Nur Aji

Abstract


Pada penelitian ini dilakukan simulasi penambatan molekul senyawa-senyawa aktif pada bunga, kulit daun dan getah tanaman Aloe barbadensis Miller . Simulasi ini bertujuan untuk memprediksi interaksi antara senyawa ligan uji dan protein yang menyebabkan terganggunya pembentukan melanin melalui interaksi kompetitif dengan enzim tirosinase. Simulasi penambatan molekul dilakukan menggunakan program Molegro Virtual Docker 6.0 dan prediksi permeabilitas dan sensitisasi kulit dengan pkCSM. Sebagai reseptor target digunakan struktur 3D protein 5M8P (tirosinase) dan ligan referensi TYR_516 (L-tirosin) yang diunduh dari Protein Data Bank. Posisi penambatan dilakukan pada koordinat yang sama dengan posisi ligan referensi yang sudah tertambat sebelumnya dan tervalidasi. Dari hasil simulasi diketahui bahwa dari 32 senyawa aktif dalam kulit daun, bunga dan getah aloe vera secara in silico terdapat tujuh senyawa yang potensial yang memiliki efek penghambatan tirosinase yaitu Aloesin, Cafeic Acid, Ferulic Acid, Galic Acid, Gentisic Acid, Protocathecuic Acid dan Sinapic Acid sedangkan berdasarkan energi interaksi potensi terbesar adalah Caffeic Acid.
Kata kunci :Aloe barbadensis, Molegro, Enzim, Tirosinase, pkCSM.


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References


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DOI: https://doi.org/10.36423/pharmacoscript.v1i1.106

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