ANALISIS PENAMBATAN MOLEKUL SENYAWA FLAVONOID BUAH MAHKOTA DEWA (Phaleria macrocarpa (Scheff.) Boerl.) PADA RESEPTOR α-GLUKOSIDASE SEBAGAI ANTIDIABETES
Abstract
Mahkota dewa (Phaleria macrocarpa (Scheff.) Boerl.) merupakan buah yang banyak mengandung flavonoid yang dapat digunakan sebagai obat antidiabetes. Senyawa flavonoid yang berkhasiat antidiabetes pada buah mahkota dewa belum diketahui jenisnya sehingga perlu diteliti. Penelitian ini bertujuan untuk melihat interaksi senyawa flavonoid buah mahkota dewa terhadap enzim α-glukosidase melalui nilai energi bebas (binding affinity/ΔG˚) dan untuk mendapatkan jenis flavonoid yang sesungguhnya dari buah mahota dewa sebagai tahap pencarian kandidat obat antidiabetes yang baru. Pelaksanaan penelitian ini diawali dengan mencari struktur dari enzim α-glukosidase di RCSB kemudian dilakukan proses penambatan molekul, diamati visualisasinya melalui Pymol dan penentuan pocket cavity. Hasil penambatan molekul terhadap 10 senyawa flavonoid menunjukkan senyawa yang memiliki energi bebas terendah adalah fevicordin A dengan nilai -10,8 kcal/mol, sementara itu hasil visualisasi dari fevicordin A terdapat 5 residu asam amino yaitu; Leu 286, Phe 535, Ile 523, Ser 521, Arg 520. Phaleria (Phaleria macrocarpa (Scheff.) Boerl.) is a fruit that contains flavonoids which can use as antidiabetic. Flavonoid compounds type in Phaleria is unknown, so it is need to be investigated. Purpose of this study were to see the interaction of flavonoids of Phaleria with α-glucosidase enzyme by binding affinity and to find out the most potent flavonoid of Phaleria as new drug candidate for antidiabetes. Implementation of this study begins with the search for the structure of the α-glucosidase enzyme in RCSB and then docking process, observed visually with Pymol and determination of pocket cavity. Results of molecular docking of 10 flavonoids, showed that the flavonoid with lowest free energy was fevicordin A with the value of 10.8 kcal/mol. The results visualization showed that fevicordin A have 5 amino acid residues.References
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