ANALISIS PENAMBATAN MOLEKULER KANDUNGAN KIMIA TANAMAN KAYU MANIS (Cinnamomum burmanii Nees & T. Nees) TERHADAP PROTEIN TARGET ANTIDIABETES

Verasti, Dwi Evita (2021) ANALISIS PENAMBATAN MOLEKULER KANDUNGAN KIMIA TANAMAN KAYU MANIS (Cinnamomum burmanii Nees & T. Nees) TERHADAP PROTEIN TARGET ANTIDIABETES. Skripsi thesis, Universitas Setia Budi.

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Abstract

Several studies have shown that cinnamon extract can significantly reduce fasting blood sugar levels in people with T2DM. However, the mechanism of action is not known with certainty. This study aims to predict what compounds can interact with antidiabetic molecular targets and predict the ADME profile of compounds in cinnamon plants. The method used in this study was the molecular docking of fourteen compounds from the cinnamon plant to antidiabetic target proteins using AutoDock Tools. Preparation of test ligands was used VegaZZ, preparation of target proteins was used Autodock Tools, validation of native ligands and target proteins were used Autodock4, and visualization of tethering results was used PyMOL and Discovery Studio Visualizer. The result of molecular docking was seen from the value of the bond energy formed, the similarity with amino acids and the type of interaction of the native ligand. The lower the bond energy value, the more stable the complex formed. The best compound was selected based on the lowest bond energy value, then tested for druglikeness and pharmacokinetic profiles using ADMETlab. MHCP, rutin, proanthocyanidin, procyanidin B2, and quercetin are predicted to have the best interaction and have better affinity than the native ligand target protein aldose reductase, glucokinase, PPAR-alpha, PTP-1B. MHCP and quercetin were predicted to have similar drug properties based on Lipinski's rules and MHCP was the compound that had the best pharmacokinetic profile. Keywords: Cinnamomun burmanii, molecular docking, bond energy value, type 2 diabetes mellitus, ADME

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	Cinnamomun burmanii, molecular docking, bond energy value, type 2 diabetes mellitus, ADME
Subjects:	R Medicine > RS Pharmacy and materia medica
Divisions:	Fakultas Farmasi > Prodi S1 Farmasi
Depositing User:	Tifany Nur Arfiana
Date Deposited:	21 Jul 2022 03:58
Last Modified:	21 Jul 2022 03:58
URI:	http://repo.setiabudi.ac.id/id/eprint/4958

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