KHAERUL ADNAN, - (2019) STUDI MOLECULAR DOCKING SENYAWA XANTHONE DARI KULIT BUAH MANGGIS (Garcinia mangostana L.) SEBAGAI INHIBITOR β-OG POCKET BINDING PADA ENVELOPE VIRUS DENGUE. Skripsi thesis, Sekolah Tinggi Farmasi Indonesia.
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Abstract
Demam Berdarah Dengue merupakan penyakit akibat virus dengue yang ditransmisikan melalui nyamuk Aedes aegypti dan Aedes albopictus. Virus dengue tersusun dari tiga gen struktural dan tujuh gen nonstruktural. Protein pada bagian Envelope/E virus dengue memiliki peranan yang penting dalam memediasi proses masuknya virus ke sel inang. Struktur kristal protein Envelope/E ini memperlihatkan bagian sambungan antara Domain I dan Domain II yang berupa “pocket” yang dapat ditempati oleh suatu ligan. Penelitian dilakukan untuk mengetahui interaksi antara senyawa xanthone dari kulit buah manggis (Garcinia mangostana L.) sebagai inhibitor β-OG pocket binding pada envelope virus dengue melalui Molecular Docking. Ligan yang digunakan adalah tujuh senyawa xanthone dari kulit buah manggis yang terbukti memiliki banyak khasiat. Pendekatan in silico dilakukan menggunakan software UCSF Chimera® 1.12 dan AutoDock® Vina untuk memprediksikan potensi dan afinitas dari senyawa xanthone tersebut sebagai inhibitor β-OG pocket binding pada envelope virus dengue. Hasil memperlihatkan bahwa ketujuh senyawa xanthone memiliki afinitas yang cukup baik. Afinitas dari ketujuh senyawa tersebut yang paling baik adalah Mangostinone -8,6 kkal/mol. Hasil memperlihatkan bahwa ketujuh senyawa xanthone yang diujikan dapat dijadikan kandidat obat baru sebagai inhibitor β-OG pocket binding envelope virus dengue.;---Dengue Hemorrhagic Fever is a disease caused by dengue virus which is transmitted through the Aedes aegypti and Aedes albopictus mosquitoes. The dengue virus is composed of three structural genes and seven nonstructural genes. Protein in the Envelope / E part of dengue virus has an important role in mediating the entry process of the virus into the host cell. The crystal structure of the Envelope / E protein shows the connection between Domain I and Domain II in the form of a "pocket" that can be occupied by a ligand. The study was conducted to determine the interaction between xanthone compounds from mangosteen peel (Garcinia mangostana L.) as an β-OG pocket binding inhibitor in dengue virus envelope through Molecular Docking. The ligands used were seven xanthone compounds from mangosteen peel which were proven to have many benefits. In silico approach was carried out using UCSF Chimera® 1.12 and AutoDock® Vina software to predict the potential and affinity of the xanthone compound as an β-OG pocket binding inhibitor in dengue virus envelopes. The results showed that the seven xanthones compounds have good affinity. The best affinity of the seven compounds is Mangostinone -8.6 kcal / mol. The results showed that the seven xanthone compounds tested could be candidates for new drugs as β-OG pocket binding envelope envelope virus inhibitors.
| Item Type: | Thesis (Skripsi) |
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| Additional Information: | No Panggil :S-01058 Pembimbing : I. Dewi Astriani II. Muhammad Yusuf NPM : A 143 003 |
| Uncontrolled Keywords: | virus dengue, β-OG pocket binding, xanthone, kulit buah manggis, molecular docking, dengue virus, β-OG pocket binding, xanthones, mangosteen peel, molecular docking. |
| Subjects: | R Medicine > RS Pharmacy and materia medica |
| Divisions: | Prodi S1 Farmasi |
| Depositing User: | pustakawan - - |
| Date Deposited: | 20 Sep 2019 06:21 |
| Last Modified: | 20 Sep 2019 06:21 |
| URI: | http://repository.stfi.ac.id/id/eprint/44 |
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