PERBANDINGAN TAMPILAN LIPINSKI’S RULE OF FIVE PEPTIDA AKIBAT ALEL A1/A2 GEN CSN2 SAPI PERAH
Abstract
Keragaman gen CSN2 menyebabkan perubahan urutan asam amino dari histidin pada alel A1 menjadi proline pada A2. Keragaman tersebut dapat memberikan potensi adanya perbedaan sifat peptida yang dihasilkan. Penelitian ini bertujuan untuk mengetahui adanya perbedaan peptida bioaktif dan karakteristik druglikeness. Penelitian ini dilakukan secara in silico meliputi pemotongan sekuens protein oleh enzim tripsin, kimotripsin dan pepsin. Peptida spesifik dari alel A1 dan A2 selanjutnya dibandingkan sifat bioavailabilitasnya berdasarkan Lipinski’s rule of 5. Hasil yang diperoleh yakni terdapat peptida unik VYPFPGPIPNSL dari alel A2 dan VYPFPGPIHNSL dari alel A1. Kedua peptida memiliki berat molekul, jumlah donor H, jumlah akseptor H, LogP dan TPSA berurutan yakni 1300,52vs.1340,55Da; 12vs.14; 16vs.17; -1,806vs.-2,346; 431,81vs.469,28. Kedua peptida melanggar kriteria Lipinski’s Rule of 5, sehingga tidak dapat diserap ke dalam tubuh. Simpulan yang diambil yakni alel A1 dan A1 gen CSN2 menghasilkan peptida unik, namun tidak dapat diserap tubuh.
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