Studi Biokemoinformatika Metabolit Daun Kersen (Muntingia calabura L.) sebagai Agen Kanker Kolorektal
DOI:
https://doi.org/10.30595/pharmacy.v19i2.13289Keywords:
Antikanker, daun kersen, docking molekuler, farmakokinetik, toksisitasAbstract
Salah satu tanaman yang dapat digunakan sebagai anti kanker adalah daun kersen. Beberapa penelitian menunjukkan bahwa daun kersen bermanfaat untuk antioksidan, antikanker, anti inflamasi, dan anti bakteri. Penelitian bertujuan untuk mengetahui senyawa terbaik yang dapat berikatan dengan target terbaik dari kanker kolorektal dan untuk mengetahui prediksi profil farmakokinetik serta profil toksisitas kandungan senyawa daun kersen. Makromolekul yang digunakan adalah target molekuler kanker kolorektal yang diperoleh berdasarkan skrining awal menggunakan prediksi SwissPred, SuperPred dan Seasearch dan ligan yang digunakan adalah senyawa daun kersen. Pembuktian dan visualisasi docking menggunakan Autodock 1.5.6. Prediksi Adme menggunakan SwissADME dan prediksi toksisitas menggunakan Toxtree. Hasil penelitian menunjukkan bahwa senyawa daun kersen yang baik dari hasil ΔGbinding danikatan yang terjadi pada EGFR adalah senyawa muntingone; 5-hydroxy-7-methoxyflavone; chrysin; dan senyawa yang baik pada GSK-3β adalah 3,5-dihydroxy-6,7-dimethoxyflavone; 7-hydroxyflavanone; 2’,4’-dihydroxychalcone. Profil farmakokinetik dengan prediksi ADME memenuhi kriteria dari aturan Lipinski. Prediksi toksisitas 19 senyawa termasuk dalam toksisitas tinggi, senyawa 2’,4’-dihydroxy-3’-methoxydihydro-chalcone; muntingone; 2’,4’-dihydroxychalcone; 2’,4’-dihydroxy-3’-methoxychalcone menunjukkan positif terhadap genotoksik karsinogenik dan senyawa 2’,4’-dihydroxy-3’-methoxydihydro-chalcone; muntingone; 2’,4’-dihydroxychalcone; 2’,4’-dihydroxy-3’-methoxychalcone menunjukkan adanya peringatan terhadap mutagenesis.
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