STUDI PENAMBATAN MOLEKUL SENYAWA METABOLIT SEKUNDER EKSTRAK AKAR TAWAR SERIBU (Bauhinia purpurea L) SEBAGAI POTENSI INHIBITOR α-Glukosidase
DOI:
https://doi.org/10.36387/jifi.v9i1.3036Kata Kunci:
Bauhinia purpurea,L, α-glukosidase , molecular docking, ADMETAbstrak
Diabetes melitus adalah penyakit yang ditandai meningkatnya kadar glukosa darah karena gangguan sekresi maupun kerja insulin. Strategi pengembangan terapi adalah melalui penghambatan enzim α-glukosidase. Bauhinia purpurea, L diketahui mengandung berbagai senyawa yang berpotensi memiliki aktivitas antidiabetes. Penelitian ini bertujuan melihat potensi senyawa metabolit sekunder dari ekstrak Bauhinia purpurea, L sebagai inhibitor enzim α-glukosidase melalui pendekatan in silico molecular docking dan predikasi ADMET. Senyawa uji diperoleh dari hasil identifikasi LC-MS, kemudian struktur tiga dimensinya diunduh dari basis data PubChem. Struktur protein diperoleh dari Protein Data Bank (PDB ID: 3L4W). Proses molecular docking menggunakan perangkat lunak AutoDock Tools dengan hasil validasi sebesar 1.9 Å. Hasil penelitian menunjukkan nilai ΔG berkisar antara -4,00 kkal/mol sampai dengan -8,26 kkal/mol. Hasil predikasi ADMET menunjukkan nilai HIA tinggi >90%, permeabilitas Caco2 dengan kategori low permeability (<4 nm.sec-1), nilai BBB rendah serta tes AMES menunjukkan kategori non-mutagenic pada semua senyawa uji. Berdasarkan hasil, metabolit sekunder yang terkandung dalam ekstrak Bauhinia purpurea, L berpotensi sebagai inhibitor enzim α-glukosidase yang memiliki parameter farmakokinetika baik sehingga berpotensi dikembangkan menjadi calon kandidat obat dengan modifikasi farmasetik maupun struktur kimia.
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