STUDI IN SILICO PENAMBATAN MOLEKUL BRAZILIN TERHADAP PROTEIN PEMBENTUKAN BIOFILM PADA Methicillin-resistant Staphylococcus aureus (MRSA)

VIVIN DESFRIANTI, - (2026) STUDI IN SILICO PENAMBATAN MOLEKUL BRAZILIN 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 sehingga meningkatkan resistensinya terhadap antibiotik. Salah satu upaya untuk menghambat pembentukan biofilm adalah mengeksplorasi senyawa alami, seperti brazilin yang berasal dari kayu secang (Caesalpinia sappan L.). Penelitian ini bertujuan menganalisis nilai energi ikatan brazilin terhadap protein target pembentuk biofilm MRSA serta mengevaluasi potensinya sebagai inhibitor berdasarkan interaksi molekuler yang terbentuk. Penelitian ini dilakukan secara in silico menggunakan metode penambatan molekul dengan AutoDock Vina melalui pendekatan blind docking. Protein target pembentukan biofilm MRSA yang digunakan meliputi IcaA, IcaB, IcaC, IcaD, ArgB, ArgC, SarA, ClfA, dan FnbA. Struktur protein diperoleh dari AlphaFold, kemudian dipreparasi menggunakan GalaxyWEB dan AutoDock Tools. Analisis interaksi molekuler dilakukan menggunakan BIOVIA Discovery Studio. Hasil penambatan molekul menunjukkan bahwa brazilin mampu berikatan dengan seluruh protein target dengan nilai energi ikatan berkisar antara -5,90 hingga -8,80 kcal/mol. Afinitas pengikatan tertinggi diperoleh pada IcaA sebesar -8,80 kcal/mol, diikutiIcaC sebesar -8,70 kcal/mol. Visualisasi interaksi menunjukkan bahwa brazilin membentuk ikatan hidrogen, interaksi hidrofobik, dan interaksi elektrostatik pada IcaA dan IcaC. Berdasarkan hasil tersebut, brazilin berpotensi menjadi inhibitor pembentukan biofilm MRSA melalui interaksinya dengan IcaA dan IcaC. Senyawa ini dapat dipertimbangkan sebagai kandidat agen antibiofilm berbasis bahan alam untuk pengembangan selanjutnya. ----- Methicillin-resistant Staphylococcus aureus (MRSA) is a pathogenic bacterium capable of forming biofilms, thereby increasing its resistance to antibiotics. One approach to inhibit biofilm formation is to explore natural compounds, such as brazilin derived from sappan wood (Caesalpinia sappan L.). This study aimed to analyze the binding energy of brazilin against target proteins involved in MRSA biofilm formation and to evaluate its potential as an inhibitor based on the molecular interactions formed. This study was conducted in silico using molecular docking with AutoDock Vina through a blind docking approach. The target proteins involved in MRSA biofilm formation included IcaA, IcaB, IcaC, IcaD, ArgB, ArgC, SarA, ClfA, and FnbA. Protein structures were obtained from AlphaFold and subsequently prepared using GalaxyWEB and AutoDock Tools. Molecular interaction analysis was performed using BIOVIA Discovery Studio. The molecular docking results showed that brazilin was able to bind to all target proteins, with binding energy values ranging from −5.90 to −8.80 kcal/mol. The highest binding affinity was observed for IcaA at −8.80 kcal/mol, followed by IcaC at −8.70 kcal/mol. Interaction visualization showed that brazilin formed hydrogen bonds, hydrophobic interactions, and electrostatic interactions with IcaA and IcaC. Based on these results, brazilin has potential as an inhibitor of MRSA biofilm formation through its interactions with IcaA and IcaC. This compound may be considered a natural-based antibiofilm agent for further development.

Item Type:	Thesis (Skripsi)
Uncontrolled Keywords:	biofilm, brazilin, energi ikatan, MRSA, penambatan molekul. ----- biofilm, brazilin, binding affinity, MRSA, molecular docking
Subjects:	Q Science > Q Science (General) Q Science > QH Natural history > QH301 Biology
Divisions:	Program Studi S1 Farmasi
Depositing User:	pustakawan - -
Date Deposited:	24 Sep 2026 02:31
Last Modified:	24 Sep 2026 02:31
URI:	http://repository.stfi.ac.id/id/eprint/4306

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