Nurmaylindha, Verra (2019) STUDI BIOINFORMATIKA KANDUNGAN KIMIA TANAMAN LAMTORO (Leucaena leucocephala Lam.) DAN BIJI KLABET (Trigonella foenum-graecum) SEBAGAI ANTIDIABETES. Skripsi thesis, Universitas Setia Budi.
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Abstract
The enzyme α-glucosidase (α-G), protein tyrosine posfatase-1B (PTP-1B), glucokinase (GK), and dipeptidyl peptidase-4 (DPP4) are enzymes that play a role in diabetes. In this study, compounds from the lamtoro plant (L. leucocephala) and klabet seed (T. foenum-graecum) which have antidiabetic potential are used as ligands and enzymes α-G, PTP-1B, GK, and DPP4 as molecular targets to determine Drug interactions with receptors and ADME prediction of candidate compounds. This study predicts the interaction of compounds from both plants with antidiabetic molecular targets, then molecular docking is done using PyRx 0.8 software, then visualized using Discovery Studio Visualizer and PyMol, and ADME is predicted using SwissADME. The results showed that the lamtoro compound, nicotiflorin, had a better binding affinity value on DPP4 and α-G and luteolin-7-glucoside on GK and PTP1B proteins. Based on the prediction of the best interactions for each target namely quercetin-3-O-rhamnoside, nicotiflorin, rhaponticin, luteolin-7-glucoside, chrysoeriol, rhapontigenin, isorhamnetin-3-O-galactoside, orientin, and isorhamnetin. ADME predictions show that flavonoid compounds from lamtoro namely chrysoeriol meet Lipinski requirements, do not diffuse on the brain barrier, not P-glycoprotein substrate and can be well metabolized. Keyword : Antidiabetic, Leucaena leucocephala, Trigonella foenum-graecum, Molecular Docking
Item Type: | Thesis (Skripsi) |
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Uncontrolled Keywords: | Antidiabetic, Leucaena leucocephala, Trigonella foenum-graecum, Molecular Docking |
Subjects: | Q Science > QK Botany |
Divisions: | Fakultas Farmasi > Prodi S1 Farmasi |
Depositing User: | Tifany Nur Arfiana |
Date Deposited: | 20 Jan 2020 04:26 |
Last Modified: | 20 Jan 2020 04:26 |
URI: | http://repo.setiabudi.ac.id/id/eprint/4057 |
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