MASKUNI, - (2020) STUDI INTERAKSI ALFA MANGOSTIN DENGAN BEBERAPA ION YANG UMUM DIGUNAKAN PADA PEMBENTUKAN GARAM. Skripsi thesis, Sekolah Tinggi Farmasi Indonesia.
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Abstract
Alfa mangostin merupakan kristal amorf berwarna kuning dengan titik lebur 180- 182°C. Alfa mangostin memiliki aktivitas menghambat sel leukimia, melawan sel kanker payudara dan sebagai anti tuberkolosis. Kelarutan alfa mangostin dalam air sangat rendah sehingga dapat menurunkan kadar obat dalam plasma yang nantinya dapat menurunkan respon farmakologi. Penelitian ini bertujuan untuk melakukan modifikasi stuktur alfa mangostin melalui reaksi penggaraman mengunakan ion bromida, klorida dan zink dengan cara in silico. Metode in silico yang digunakan yaitu DFT (density functional theory) menggunakan Gaussian 09W dan GausView. Hasil interaksi menunjukkan reaksi alfa mangostin dengan Cl dan Br terbentuk ikatan hidrogen lemah, sedangkan interaksi alfa mangostin dengan Zn terbentuk ikatan ionik sedang. Nilai energi aktivasi yang diperoleh yaitu alfa mangostin-Cl -2,26242 kkal/mol alfa mangostin-Br 4968,742 kkal/mol dan alfa mangostin-Zn -30,9349 kkal/mol. Berdasarkan hasil energi aktivasi diketahui bahwa alfa mangostin lebih mudah berinteraksi dengan Cl dan Zn dibandingkan dengan Br. Nilai energi bebas gibbs menunjukkan bahwa potensi terbentuknya garam paling besar yaitu garam alfa mangostin-Zn dengan nilai energi bebas gibbs -20,426824 kkal/mol. --- Alpha mangostin is a yellow amorphous crystal with melting point of 180-182 °C. Alpha mangostin has the activity of inhibiting leukemia cells, breast cancer cells and as anti-tuberculosis. Alpha mangostin is practically water insoluble that it could reduce drug levels in plasma which in turn could reduce pharmacological response. This study aims to modify the structure of alpha mangostin through salt formation reaction using ion bromide, chloride and zinc by in silico. In silico method used was DFT (density functional theory) using Gaussian 09W and GaussView. The result of interaction showed that alpha mangostin reaction with Cl and Br formed weak hydrogen bonds, while alpha mangostin and Zn formed medium ionic bonds. The value of activation energy obtained was alpha mangostinCl of -2,26242 kkal/mol, alpha mangostin-Br of 4968,742 kkal/mol, and alpha mangostin-Zn of -30,9349 kkal/mol. Based on the results of activation energy, it showed that alpha mangostin interacted more easily with Cl and Zn than Br. The value of Gibbs free energy showed that the most potential salt formation was Alpha mangostin-Zn salt of -20,426824 kkal/mol.
| Item Type: | Thesis (Skripsi) |
|---|---|
| Uncontrolled Keywords: | Alfa mangostin, In Silico, DFT dan Penggaraman --- Alfa mangostin, In Silico, DFT and Salting |
| Subjects: | Q Science > Q Science (General) R Medicine > R Medicine (General) |
| Divisions: | Program Studi S1 Farmasi |
| Depositing User: | pustakawan - - |
| Date Deposited: | 03 Oct 2024 04:46 |
| Last Modified: | 03 Oct 2024 04:46 |
| URI: | http://repository.stfi.ac.id/id/eprint/1316 |
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