MOLECULAR DOCKINGSTUDYOF BULB OF BAWANG DAYAK (Eleutherine Palmifolia (L) Merr)COMPOUND AS ANTI SERVICAL CANCER
- Jurnal Nasional Terakreditasi
- Tedjo Narko, Benny Permana, Riska Prasetiawati, Dang Soni, F aridhatul Khairiyah
- Jurnal Ilmiah Farmako Bahari Vol.8 ; No. 2 ; Juli 2017 Halaman 1-14 P-ISSN: 2087-0337 E-ISSN: 2715-9949
Abstrak
Abstract
Cervical cancer is a cancer which occurs because of cervical epithelial cells
undergo genetic mutation resultin in controlled cell division. Bulbs of bawang
dayak are one of the typical Indonesian plants whose compounds have been
studied, which is shown that has inhibits the growth of cervival cancer activity
(HeLa Cell). The purpose of this research is to find a new compound candidates
as anticervical cancer that derived from the compound of Bulbs of bawang dayak,
so that it can be an alternative source of medicinal raw materials through
molecullar docking methods on two receptors namely 5UUI and 3ERT. All of the
compounds of bulbs of Bawang Dayak docked to target receptor using a program
called AutoDock Tools. The method validation has been done with the valueof
RMSD (Root Mean Square Deviation) which is obtained 0,282Å and0,436Å.
Analysis of results of the docking of molecules shows that eleutherinoside
compounds A can be predicted to have the best interaction with the value of
energy bonds in the amount of -9,55 kkal/mol on the 5UU1 receptor and -7,63 on
3ERT receptor than comparative drugs 5 Flourourasil in the amount of -3,91
kkal/mol on the 5UU1 receptor and -4,20 on the 3ERT receptor. To preADME test
Caco-2 cell has amount of 11,77 nm/sec;HIS has amount of 74,29%, and plasma
protein bond has amount 66,28%. This compound also fulfills the rules of 5
Lipinski and not toxic.
Key words: Cervical cancer,compounds of bulbs of Bawang Dayak, molecular
docking
Lihat Dokumen