a Molecular Docking Meniran (Phyllanthus niruri L.) Terhadap Penghambatan Enzim Tyrosine Kinase Sebagai Antikanker
Molecular Docking
DOI:
https://doi.org/10.32734/idjpcr.v7i2.17993Keywords:
Antikanker, Geranin, In silico, Meniran, Moleculer DockingAbstract
ABSTRAK
Tumbuhan meniran (Phyllanthus niruri L.) merupakan tumbuhan genus Phyllanthus. Diketahui tumbuhan genus Phyllantus memiliki kandungan senyawa corilagin, geranin, asam galat, filantin, hipofilantin, asam elagat, filtetralin, nirantin, katekin, kuersetin, astragalin, yang merupakan salah satu turunan tannin yang dapat berfungsi sebagai antivirus dan antikanker.
Jenis peneliian ini merupakan penelitian melalui pendekatan Computer-Aided Drug Design (CADD) atau in silico yang berbasis komputer dengan tujuan untuk memperoleh ikatan interaksi yang optimal antara protein dan ligan sehingga dapat menghasilkan agen penghambat perkembangan sel kanker.
Berdasarkan hasil simulasi molecular docking, senyawa geranin memiliki afinitas paling baik dibandingkan senyawa lainnya yaitu -9,4 kcal/mol sedangkan dibanding dengan nativ ligand-nya yaitu -8,3 atau dengan kata lain senyawa geranin yang berasal dari tumbuhan meniran ( Phillanthus niruri L. ) dapat bereaksi sebagai obat apabila berikatan dengan reseptor target pada kanker.
Kesimpulan dari penelitian ini dapat dilihat berdasarkan hasil visualisasi docking juga menunjukkan beberapa ikatan berupa ikatan hydrogen conventional yang mendominasi dan beberapa ikatan hydropobic. Interaksi yang terjadi pada sisi aktif protein target tersebut, mengindikasikan bahwa senyawa tersebut memiliki kemampuan dalam menembus dinding sel dengan kata lain senyawa tersebut dapat bereaksi sebagai obat apabila berikatan dengan molekul reseptor target pada penyakit kanker.
Kata kunci : Antikanker, Geranin, In silico, Meniran, Moleculer Docking
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