Studi molecular docking senyawa 1,5-benzothiazepine sebagai inhibitor dengue DEN-2 NS2B/NS3 serine protease
DOI:
https://doi.org/10.22437/chp.v6i1.12980Kata Kunci:
molecular docking, panduratin A, inhibitor of dengue fever, 1,5 benzothiazepineAbstrak
Studi molecular docking senyawa 1,5-benzothiazepine turunan kalkon dengan protein target dari permodelan struktur kristalografi Protease dengan kode 2FOM dilakukan dengan komputer menggunakan program Molecular Operating Environment (MOE). Penelitian ini bertujuan untuk mengetahui potensi senyawa 1,5-benzothiazepine sebagai inhibitor virus dengue menggunakan studi molecular docking dengan mengamati interaksi antara senyawa 1,5-benzothiazepine dengan reseptor NS2B/ NS3 Protease menggunakan Panduratin A sebagai kontrol positif. Sehingga dapat dijadikan acuan dalam desain inhibitor NS2B/ NS3 Protease. Berdasarkan hasil docking yang telah dilakukan menunjukkan senyawa MA10, MA11 dan MA12 berpotensi aktif sebagai inhibitor NS2B/ NS3 Proteasedengan nilai energi bebas ikatan sebesar -5,0142 kcal/mol, -4,9782kcal/mol, dan -4,9778kcal/mol dan memiliki beberapa kesamaan residu asam amino yang sama dengan kontrol positif (Panduratin A).
Unduhan
Referensi
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