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HKSA dan Penambatan Molekuler Senyawa Turunan Kumarin sebagai Anti Kanker Kolon

Author

Listed:
  • Yeni Yeni
  • Supandi Supandi
  • Yulianindra Khalishah

Abstract

Senyawa turunan kumarin menunjukkan aktivitas anti koagulasi darah, menghambat kerja enzim, antimikroba, antibiotik, dan anti kanker dengan mengganggu sintesa DNA/RNA. Penelitian ini bertujuan memperoleh hubungan kuantitatif struktur-aktivitas senyawa turunan kumarin terhadap reseptor kanker kolon dengan pendekatan Hansch melalui analisis multilinear, untuk dapat melakukan modifikasi senyawa berdasarkan persamaan HKSA dalam usaha memperbesar potensi dan selektifitas obat. Deskriptor yang terpilih mewakili parameter elektronik,hidrofobik dan sterik. Penambatan molekul dilakukan dengan menggunakan Autodock Vina untuk menganalisa interaksi dari turunan kumarin terhadap enzim Topoisomerase II. Hasil persamaan HKSA yang didapat telah tervalidasi dengan metode LOO (Leave One Out) adalah Log IC50= -4.047+(0.496 x AM1_dipol) + (-0.089 x AM1_HOMO) + (0.899 x logP(o/w)) + (0.903 x logS) + (0.351 x mr). Hasil penelitian menunjukkan IC50 prediksi dari senyawa yang di modifikasi (MOD2) dengan subtituen NO2 mempunyai aktivitas terbaik dengan (ΔGbind) terendah (-8.8 Kcal/mol) dan memiliki IC50 prediksi terkecil yaitu 1.0897 µM dibandingkan IC50 lead compound (C14) yaitu 1.77 µM.

Suggested Citation

  • Yeni Yeni & Supandi Supandi & Yulianindra Khalishah, 2018. "HKSA dan Penambatan Molekuler Senyawa Turunan Kumarin sebagai Anti Kanker Kolon," BIOEDUSCIENCE, Universitas Muhammadiyah Prof. Dr. Hamka, vol. 2(1), pages 45-52.
    • Handle: RePEc:apn:bionce:v:2:y:2018:i:1:p:45-52:id:1355
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