Studi Interaksi Kompleks Inulin dan Fraksi Kasein Melalui Analisis In-Silico dan Molecular Docking Sebagai Dasar Pengembangan Prebiotic Fermented Milk
DOI:
https://doi.org/10.21776/ub.jitek.2019.014.01.2Keywords:
Inulin, fraksi kasein, molecular docking, prebiotic fermented milkAbstract
Penelitian ini dilakukan untuk menentukan interaksi terbaik kompleks inulin dengan fraksi kasein yaitu kasein-α, kasein-β dan kasein-kappa sebagai dasar pengembangan  prebiotic fermented milk. Materi penelitian berupa sampel data struktur protein yaitu fraksi kasein dimodelkan menggunakan webservice I-TASSER dan sampel data struktur Inulin diambil dari PUBCHEM database dengan ID:CID 24763. Molecular Docking dilakukan dengan PatchDock algorithm dan pengamatan Molecular Visualization dilakukan dengan PyMol 1.3(Educational version). Hasil pengamatan menunjukkan bahwa Binding Energy yang diperlukan untuk memetabolisme sebuah sistem terikat menjadi bagian yang terpisah mempunyai energi potensial yang lebih rendah daripada bagian penyusunnya. Interaksi kompleks Inulin dengan kasein-kappa menghasilkan binding energy terendah yaitu sebesar -36,81 Kcal/mol dibandingkan dengan interaksi kompleks Inulin dengan kasein-α binding energynya sebesar -29,55 Kcal/mol dan interaksi kompleks Inulin dengan kasein-β binding energynya sebesar -29,88 Kcal/mol. Kompleks ikatan molekul Inulin dengan kasein-kappa berada dipermukaan kasein-kappa, distabilkan oleh ikatan hidrogen dan interaksi hidrophobik seperti GLN-75, ALA-92, ASN-74, ASN-73, ILE-72, PHE-38, ARG-37, LYS-34,ASP-35 dan GLU-36. Kesimpulan penelitian adalah molecular docking dapat dibuktikan bahwa interaksi terbaik yaitu Inulin membentuk kompleks dengan fraksi kasein-kappa untuk pengembangan prebiotic fermented milk.
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