STUDI POTENSI SENYAWA TURUNAN KUMARIN-KALKON-UREA SEBAGAI ANTI-KANKER HATI SECARA IN SILICO: PENELUSURAN FARMAKOFOR, SKRINING VIRTUAL, DAN PENTAUTAN MOLEKUL
Abstract
Kanker hati (HCC) merupakan penyakit karsinoma mematikan kedua setelah karsinoma pankreas. Hal ini berkaitan dengan sulitnya diagnosis awal serta sifat asimptomatik penyakit ini yang menyebabkan HCC terdiagnosa setelah pasien ada di stadium lanjut. Penelitian ini bertujuan untuk mendapatkan senyawa baru sebagai calon obat berdasarkan kajian farmakofor dari turunan kumarin-kalkon-urea secara in silico. Prosedur dilakukan dengan melakukan pemodelan tiga dimensi senyawa dan optimasi geometri oleh HyperChem 8.0. Selanjutnya, penelusuran farmakofor, skrining virtual dari Zinc Database, serta pentautan molekul dilakukan dengan menggunakan perangkat lunak MOE 2009. Hasil penelitian menunjukkan bahwa senyawa dengan kode ZINC12138892 merupakan senyawa yang memilki potensi sebagai calon obat kanker hati berdasarkan analisis kesesuaian pada farmakofor reseptor protein serta pentautan molekulReferences
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