STUDI BIOKEMOINFORMATIKA KANDUNGAN KIMIA DAUN KELOR (Moringa oleifera L) TERHADAP TARGET ANTIDIABETES

Khoironi, Ahmad (2021) STUDI BIOKEMOINFORMATIKA KANDUNGAN KIMIA DAUN KELOR (Moringa oleifera L) TERHADAP TARGET ANTIDIABETES. Skripsi thesis, Universitas Setia Budi.

	Text ABSTRAK.pdf Download (45kB)
	Text PERNYATAAN PUBLIKASI.pdf Download (277kB)
	Text Ahmad Khoironi_23175164A_SuratKeteranganTurnitin.pdf Download (22kB)
	Text COVER - BAB I.pdf Download (1MB)
	Text BAB II.pdf Restricted to Repository staff only Download (395kB) | Request a copy
	Text BAB III.pdf Restricted to Repository staff only Download (75kB) | Request a copy
	Text BAB IV.pdf Restricted to Repository staff only Download (553kB) | Request a copy
	Text BAB V.pdf Restricted to Repository staff only Download (38kB) | Request a copy
	Text DAPUS.pdf Download (80kB)
	Text LAMPIRAN.pdf Download (607kB)

Abstract

Moringa leaves have been empirically known to have properties that can reduce the risk of diabetes. The purpose of this study was to determine the protein that became the molecular target, to determine the interaction of the molecular target of antidiabetic based on the conformation score and to determine the pharmacokinetics of the compounds of moringa leaves. Modeling of the interaction of the active compound of Moringa leaves with antidiabetic target receptors was carried out using the molecular docking method using Autodock4 software, autodock tools, MarvinSketch, Pymol, which were then visualized using the Discovery Studio Visualizer then analyzed the results of their energy bonds and pharmacokinetic profiles, after which a dynamic molecular simulation test was carried out. to see the stability of the test ligand bind to the receptor. The results showed that the moringa leaf compound, namely N-ɑ-L-Rhamnopyranosyl Vincosamide, had better binding affinity values for DPP4 and α-G and 4- (L-L-Rhamnopyranosyloxy) benzyl glucosinolate on GK and PTP-1B proteins. Based on the best predicted interactions for each target 2-Methylpropyl Glucosinolate,4- (ɑ-L-Rhamnopyranosyloxy) benzyl Glucosinolate, 4-Hydroxybenzyl Glucosinolate, Benzyl glucosinolate, Kaempferol, N-ɑ-L-Rhamnopyranosyl ɑ-l-rhamnosyloxy) benzyl carbamate, Quercetin, Rhamnetin, and β-sitosterol 3-O-β-D-glucuronopyranoside. ADME prediction shows that the compounds from moringa leaves, namely kaempferol, quercetin and rhamnetin, have high absorption values and do not cross the blood-brain barrier and can be metabolized properly so that the three compounds can be predicted to have the best pharmacokinetic profile and ligand 4- (ɑ-L- Rhamnopyranosyloxy) is stable to bind benzyl glucosinolate with PTP1B through molecular dynamics simulation tests. Keywords: Moringa oleifera, Antidiabetic Disease, Molecular Docking, Molecular Dynamic Simulation.

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Moringa oleifera, Antidiabetic Disease, Molecular Docking, Molecular Dynamic Simulation.
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	21 Jul 2022 03:57
Last Modified:	21 Jul 2022 03:57
URI:	http://repo.setiabudi.ac.id/id/eprint/4926

Actions (login required)

View Item