Molecular Docking of Mangostin and Sinensetin Derivatives on SUR1-Pancreatic KATP Channel Target as Antidiabetic
نویسندگان
چکیده
Background: Diabetes Mellitus (DM) is a complex chronic disease characterized by increased blood glucose. The incidence of this rising, especially type 2 diabetes which caused insulin resistance in the body. SUR1-Pancreatic KATP Channel receptor as an antidiabetic target because its inhibition process can increase production so that it reduce glucose people with diabetes. Objective: This study aims to identify in-silico activity macromolecules. Methods: Identification macromolecular binding sites using Protein Plus software, then carried out molecular docking AutoDock where formed interactions are further identified BIOVIA Discovery Studio software. Results: After determining site, RMSD value was 1.253, allowing for docking. Molecular showed Ligands mangostin (α, β, γ-mangostin) and sinensetin derivatives had good affinity, namely α-mangostin -6,31 kcal/mol; β-mangostin -5.78 γ-mangostin -6.17 kcal/mol -4.75 kcal/mol. Conclusion: affinity sequence SUR1 channel macromolecules > sinensetin. highest on macromolecule ΔG -6.31 Ki 23.65 μM.
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ژورنال
عنوان ژورنال: Jurnal Farmasi dan Ilmu Kefarmasian Indonesia
سال: 2021
ISSN: ['2406-9388', '2580-8303']
DOI: https://doi.org/10.20473/jfiki.v8i32021.271-276