Eksplorasi Senyawa Bioaktif dari Berbagai Jenis Kombucha sebagai Inhibitor Enzim α-Amilase: Pendekatan In Silico untuk Terapi Diabetes Mellitus Tipe 2
Exploration of Bioactive Compounds from Various Types of Kombucha as α-Amylase Enzyme Inhibitors: An In Silico Approach for Type 2 Diabetes Mellitus Therapy
DOI:
https://doi.org/10.25047/jofe.v4i4.6500Keywords:
α-amilase, Diabetes mellitus tipe 2, Kombucha, Molecular dockingAbstract
Diabetes melitus tipe 2 ditandai oleh hiperglikemia kronis akibat resistensi atau gangguan sekresi insulin. Salah satu strategi pengendalian glukosa darah postprandial adalah menghambat enzim pencernaan karbohidrat, khususnya α-amilase. Penelitian ini bertujuan mengevaluasi potensi senyawa bioaktif dominan dari berbagai jenis kombucha sebagai inhibitor α-amilase melalui pendekatan metode in silico. Senyawa uji meliputi theaflavin (teh hitam), quercetin dan rutin (teh hijau/hitam), epikatekin, kurkumin (kunyit), gingerol (jahe), asam klorogenat (apel), dan antosianin (delima). Struktur ligan diperoleh dari PubChem, sedangkan α-amilase diunduh dari PDB (1B2Y). Proses molecular docking menggunakan AutoDock Vina untuk memprediksi binding affinity dan interaksi ligan-protein, dilanjutkan analisis ADMET melalui SwissADME dan ProTox-II. Hasil docking menunjukkan variasi binding affinity: theaflavin (–9,7 kcal/mol), rutin (–9,2), quercetin (–9,1), epikatekin (–8,9), antosianin (–8,7), kurkumin (–8,5), asam klorogenat (–7,8), dan gingerol (–6,6). Analisis ADMET menunjukkan gingerol dan epikatekin memiliki absorpsi GI tinggi, tidak melanggar aturan Lipinski, dan profil toksisitas lebih aman, sedangkan flavonoid berafinitas tinggi memiliki bioavailabilitas rendah dan potensi interaksi CYP3A4/CYP2C9. Temuan ini menegaskan bahwa kombinasi kekuatan pengikatan dan biofarmasetika menjadi kunci seleksi kandidat inhibitor α-amilase berbasis pangan fungsional untuk pengelolaan DM tipe 2.
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