MELITA PERMATA SARI, - (2026) STUDI IN SILICO PENAMBATAN MOLEKUL α-MANGOSTIN TERHADAP PROTEIN PEMBENTUKAN BIOFILM PADA Methicillin-Resistant Staphylococcus aureus (MRSA). Skripsi thesis, Sekolah Tinggi Farmasi Indonesia.
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Abstract
Methicillin-Resistant Staphylococcus aureus (MRSA) merupakan bakteri patogen yang mampu membentuk biofilm. Biofilm merupakan komunitas bakteri yang terbungkus dalam matriks polimer ekstraseluler sehingga dapat meningkatkan resistensi terhadap antibiotik dan menyebabkan infeksi persisten yang sulit diatasi. Salah satu senyawa alami yang berpotensi sebagai antibiofilm adalah α-mangostin yang berasal dari kulit buah manggis (Garcinia mangostana L.). Penelitian ini bertujuan untuk mengetahui potensi α-mangostin terhadap protein pembentuk biofilm pada MRSA secara in silico. Penelitian dilakukan melalui preparasi protein target IcaA, IcaB, IcaC, IcaD, ArgB, ArgC, SarA, ClfA, dan FnbA, kemudian dilanjutkan dengan penambatan molekul menggunakan metode blind docking menggunakan AutoDock Vina, serta analisis visualisasi interaksi protein ligan menggunakan BIOVIA Discovery Studio. Hasil penelitian menunjukkan bahwa αmangostin mampu berikatan dengan seluruh protein target dengan nilai energi ikatan berkisar antara -6,9 hingga -8,3 kcal/mol. Afinitas pengikatan terbaik diperoleh pada protein FnbA (-8,2 kcal/mol) dan ClfA (-8,3 kcal/mol). Visualisasi interaksi menunjukkan bahwa α-mangostin berinteraksi dengan protein target melalui berbagai jenis interaksi, meliputi ikatan hidrogen, interaksi hidrofobik, dan interaksi elektrostatik, dengan interaksi hidrofobik sebagai jenis interaksi yang paling dominan. Hasil penelitian ini menunjukkan bahwa α-mangostin berpotensi sebagai kandidat senyawa antibiofilm terhadap MRSA melalui penghambatan protein yang berperan dalam adhesi dan pembentukan biofilm. ------ Methicillin-resistant Staphylococcus aureus (MRSA) is a pathogenic bacterium capable of forming biofilms. Biofilms are bacterial communities encased in an extracellular polymeric matrix, which enhances antibiotic resistance and leads to persistent, difficult-to-treat infections. One natural compound with potential antibiofilm activity is α-mangostin, derived from the pericarp of the mangosteen fruit (Garcinia mangostana L.). This study aimed to investigate the potential of αmangostin to target biofilm-forming proteins in MRSA using in silico methods. The research involved preparing the target proteins IcaA, IcaB, IcaC, IcaD, ArgB, ArgC, SarA, ClfA, and FnbA followed by molecular docking using the blind docking method with AutoDock Vina, and analyzing protein-ligand interaction visualizations using BIOVIA Discovery Studio. The results demonstrated that α-mangostin could bind to all target proteins, with binding energy values ranging from -6.9 to -8.3 kcal/mol. The highest binding affinities were observed with the FnbA (-8.2 kcal/mol) and ClfA (-8.3 kcal/mol) proteins. Interaction visualizations revealed that α-mangostin interacts with the target proteins through various mechanisms including hydrogen bonding, hydrophobic interactions, and electrostatic interactions with hydrophobic interactions being the most dominant type. These findings indicate that α-mangostin is a promising candidate for an antibiofilm agent against MRSA, acting through the inhibition of proteins involved in adhesion and biofilm formation.
| Item Type: | Thesis (Skripsi) |
|---|---|
| Uncontrolled Keywords: | α-mangostin,biofilm, blind docking, in silico, MRSA, penambatan molekul. ----- α-mangostin, biofilm, blind docking, in silico, molecular docking, MRSA. |
| Subjects: | Q Science > Q Science (General) Q Science > QH Natural history > QH426 Genetics |
| Divisions: | Program Studi S1 Farmasi |
| Depositing User: | pustakawan - - |
| Date Deposited: | 24 Sep 2026 02:11 |
| Last Modified: | 24 Sep 2026 02:11 |
| URI: | http://repository.stfi.ac.id/id/eprint/4302 |
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