ANALISIS DOCKING MOLEKULER KANDUNGAN KIMIA KUNYIT (Curcuma longa L.) DAN BUNGA ROSELA (Hibiscus sabdariffa Linn.) TERHADAP PROTEIN TARGET ANTIATEROSKLEROSIS

Saputri, Fitri Diah Viansari (2020) ANALISIS DOCKING MOLEKULER KANDUNGAN KIMIA KUNYIT (Curcuma longa L.) DAN BUNGA ROSELA (Hibiscus sabdariffa Linn.) TERHADAP PROTEIN TARGET ANTIATEROSKLEROSIS. Skripsi thesis, Universitas Setia Budi.

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Abstract

Atherosclerosis is a chronic inflammatory disease characterized by the formation of plaque in large arteries.Previous research has reported that turmeric extract (Curcuma longa L.) and rosela (Hibiscus sabdariffa Linn.) have antiinflammatory activity in atherosclerosis but the potential compound is not yet known.This research aims to find out which compounds have activity against target proteins ERK1, ERK2, JNK1, JNK2, p38MAPK, and NF-kB as antiinflammatory in atherosclerosis. The research was conducted in silico using molecular docking methods. The research phases are test ligand preparation using MarvinSkecth and VegaZZ, target protein preparation using AutodockTools 1.5.6, ligand validation and target protein using Autodock 4, and visualization of docking results using PyMOL and Discovery Studio Visualizer. Docking results are assessed from bonding energy formed between the test compound, protein and the interaction corresponding to the native ligand.The lower energy value of the bond between test compound and the target protein, more stable complex is formed.The more appropriate interaction of test compounds with native ligand then has potential to the target protein.The results showed compounds that could potentially inhibit activation of target proteins namely curcumin, calebin A, Bis-(4-hydroxycinnamoyl) methane, demethoxycurcumin from turmeric as well as spinasterol and ergosterol from rosela flowers. Activity is seen through low bond energy(minus) and the formation of hydrogen bonds in compound interactions against target proteins. Keywords : atherosclerosis, turmeric, rosela, molecular docking

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	atherosclerosis, turmeric, rosela, molecular docking
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	09 Jun 2022 03:30
Last Modified:	09 Jun 2022 03:30
URI:	http://repo.setiabudi.ac.id/id/eprint/4827

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