Putra, Syariful Alamsyah (2020) Penentuan Potensi Anti-diabetes Ekstrak Air Pletekan (Ruellia tuberosa L.) dengan In Silico Molekular Docking Terhadap Enzim Alpha-Glukosidase. Sarjana thesis, Universitas Brawijaya.
Abstract
Enzim alpha-glukosidase adalah enzim yang menghidrolisis karbohidrat menjadi glukosa pada dinding usus halus, kemudian diserap oleh lumen usus halus dan masuk ke dalam peredaran darah yang menyebabkan tingginya kadar glukosa darah. Ekstrak tanaman pletekan (Ruellia tuberosa L.) memiliki kandungan senyawa dominan (betaine, daidzein, dan hispidulin) yang mampu menghambat kerja enzim α-glukosidase, sehingga dapat mengurangi kadar glukosa darah. Ketiga senyawa ini akan digunakan dalam uji in silico molekular docking. Penelitian ini bertujuan untuk mengetahui interaksi dan energi ikatan antara ligan betaine, daidzein, dan hispidulin terhadap enzim α-glukosidase. Struktur senyawa 3D dari betaine, daidzein, dan hispidulin dipreparasi dan diminimalkan energinya menggunakan software PyRx Virtual screening tool. Air dan ligan-ligan lainnya yang terikat pada protein dihilangkan menggunakan program Discovery studio visualizer. Protein α-glukosidase didockingkan kepada betaine, daidzein, dan hispidulin menggunakan software The HEX 8.0 untuk memprediksikan reaksi yang terjadi dan menghitung energi ikatan antara betaine, daidzein, dan hispidulin terhadap protein α-glukosidase. Hasil interaksi docking divisualisasikan menggunakan program Discovery studio visualizer. Jenis ikatan dan energi ikatan antara betaine, daidzein, hispidulin, dan quercetin terhadap α-glucosidase diidentifikasi dan dihitung menggunakan software The HEX 8.0. Hasil penelitian menunjukkan urutan energi ikatan dari terendah ke tertinggi berturut-turut sebagai berikut: hispidulin dengan nilai -251,2 kal/mol, kemudian daidzein dengan nilai -249,5 kal/mol, lalu quercetin dengan nilai -241,5 kal/mol, dan yang terakhir betaine dengan nilai -167,5 kal/mol.
English Abstract
The alpha-glucosidase enzyme is an enzyme that hydrolyzes carbohydrate into glucose in the intestinal wall, then absorbed by the intestinal lumen and into the bloodstream which produces high glucose levels in the blood. Pletekan plant extract (Ruellia tuberosa L.) contains dominant composition (betaine, daidzein, and hispidulin) which is able to inhibit the activity of α-glucosidase enzyme, therefore it can be used to reduce blood glucose levels. These three compounds will be used in the in silico molecular docking. This study aim to determined interaction and binding energy between betaine, daidzein, and hispidulin ligands to the α-glucosidase enzyme. The 3D composition structure of betaine, daidzein, and hispidulin was prepared and minimized the energy using the PyRx Virtual screening tool. Water and other ligands were removed from protein using the Discovery studio visualizer program. The α-glucosidase protein was docked to betaine, daidzein, and hispidulin using The HEX 8.0 software to predict the reaction and calculate the energy associated with betaine, daidzein, and hispidulin to the α-glucosidase protein. The results of the docking interaction were visualized using the Discovery studio visualizer program. The types of bond and bond energy between betaine, daidzein, hispidulin, and quercetin to α-glucosidase were calculated using The HEX 8.0 software. The results showed order in the binding energy from the lowest to the highest were as follow: hispidulin with a value of -251.2 cal/mol, then daidzein with a value of -249.5 cal/mol, then quercetin with a value of -241.5 cal/mol, and finally betaine with a value of -167.5 cal/mol.
Other obstract
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| Item Type: | Thesis (Sarjana) |
|---|---|
| Identification Number: | 0520090183 |
| Uncontrolled Keywords: | Alpha-Glukosidase, Ruellia tuberosa L., Molekular docking |
| Subjects: | 500 Natural sciences and mathematics > 547 Organic chemistry > 547.2 Organic chemical reactions |
| Divisions: | Fakultas Matematika dan Ilmu Pengetahuan Alam > Kimia |
| Depositing User: | ismanto |
| Date Deposited: | 13 Feb 2021 00:03 |
| Last Modified: | 21 Jul 2022 07:30 |
| URI: | http://repository.ub.ac.id/id/eprint/182956 |
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