Penambatan Molekular Kafein, Teobromin, dan Teofilin terhadap Xantin Oksidase dan Xantin Dehidrogenase

Ramadhan, Muhamad Farhan (2022) Penambatan Molekular Kafein, Teobromin, dan Teofilin terhadap Xantin Oksidase dan Xantin Dehidrogenase. Other thesis, Institut Teknologi Sepuluh Nopember.

Text 01211740000067_Undergraduate_Thesis.pdf - Accepted Version Restricted to Repository staff only until 1 April 2024. Download (1MB) | Request a copy

Abstract

Penyakit asam urat yang umum menyerang persendian ditandai dengan hiperurisemia akibat penumpukan kristal urat monosodium atau asam urat. Allopurinol telah digunakan untuk penanganan penyakit ini. Penelitian ini bertujuan melakukan penambatan molekular dan mempelajari interaksi kafein, teobromin, dan teofilin dengan xantin oksidase dan xantin dehidrogenase yang berkaitan erat dengan pembentukan asam urat. Penambatan molekular kafein, teobromin dan teofilin dilakukan terhadap protein target xantin oksidase (PDB ID: 3AMZ) dan xantin dehidrogenase (PDB ID: 3BDJ). Hasil penambatan kafein, teobromin dan teofilin memberikan nilai afinitas ikatan masing-masing sebesar -5,1 kkal/mol; -5,4 kkal/mol; -5,3 kkal/mol pada 3AMZ dan -4,6 kkal/mol; -4,8 kkal/mol; -4,6 kkal/mol pada 3BDJ. Analisis visualisasi menunjukkan bahwa kafein, teobromin, dan teofilin berinteraksi dengan 3AMZ dan 3BDJ melalui residu Glu802, Arg880, Thr1010, Ala1079, dan Glu1261.
================================================================================================
Generally, gout against joints characterized by hyperuricemia due to excess of monosodium urate crystal or molecule uric acid. Allopurinol has been used to treat gout. This study used molecular docking and interaction of caffeine, theobromine, and theophylline with xanthine oxidase and xanthine dehydrogenase which related to the mechanism formation of uric acid. Molecular docking of caffeine, theobromine, and theophylline performed on the protein target xanthine oxidase (PDB ID: 3AMZ) and xanthine dehydrogenase (PDB ID: 3BDJ). The result of binding affinity of caffeine, theobromine, and theophyilline have value -5.1 kcal/mol, -5.4 kcal/mol, 5.3 kcal/mol at 3AMZ and -4.6 kcal/mol, -4.8 kcal/mol, -4,6 kcal/mol at 3BDJ. Visualitation analysis showed that caffeine, theobromine, and theophylline interact with 3AMZ and 3BDJ via residues Glu802, Arg880, Thr1010, Ala1079, and Glu1261.

Item Type:	Thesis (Other)
Uncontrolled Keywords:	Asam urat, kafein, teobromin, teofilin, penambatan molekular
Subjects:	Q Science > QD Chemistry > QD251.2 Chemistry, Organic. Biochemistry
Divisions:	Faculty of Science and Data Analytics (SCIENTICS) > Chemistry > 47201-(S1) Undergraduate Thesis
Depositing User:	Muhamad Farhan Ramadhan
Date Deposited:	16 Feb 2022 04:06
Last Modified:	02 Nov 2022 00:57
URI:	http://repository.its.ac.id/id/eprint/94169

Actions (login required)

View Item