Analisis Penambatan Molekuler Senyawa Mangiferin dari Mahkota Dewa (Phaleria macrocarpa) terhadap Sap 5 Candida albicans
Molecular Docking Analysis of Mangiferin Compound from Mahkota Dewa (Phaleria macrocarpa) against Sap 5 Candida albicans
DOI:
https://doi.org/10.25026/jsk.v5i3.1065Keywords:
Candida albicans, Docking, In silico, Mangiferin, Sap 5Abstract
Candida albicans (C. albicans) is one of commensal microorganisms. However, C. albicans can be a pathogen caused by several factors. In that case, it is necessary to establish compounds that effectively inhibit C. albicans with specific targets. This study used Sap 5 as the target for molecular docking because Sap 5 is related to tissue invasion. This study aimed to see the interaction between Mangiferin and the Sap 5 receptor of C. albicans by binding energy as the parameter so the research can be continued In vitro. The methods of this research are receptor and ligand preparation, Gridbox validation, molecular docking, and visualization. Mangiferin has -8.6190 Kcal/mol binding energy when bound with Sap 5 on the first try but is stable on -8.6179 Kcal/mol.
Keywords: Candida albicans, Docking, In silico, Mangiferin, Sap 5
Abstrak
Candida albicans (C. albicans) merupakan mikroorganisme komensal. Namun, C.albicans dapat berubah menjadi sifat patogen apabila disebabkan oleh beberapa faktor, sehingga perlu adanya penemuan senyawa-senyawa yang efektif untuk dapat menghambat C. albicans dengan spesifik pada target tertentu dari C. albicans sendiri. Kami memilih Sap 5 sebagai target dari penambatan, disebabkan erat kaitannya Sap 5 dengan terjadinya invasi jaringan. Tujuan dari penelitian ini adalah memberikan hasil berupa apakah terdapat interaksi yang kuat antara senyawa Mangiferin dengan reseptor Sap 5 C. albicans dengan melihat energi bebas Gibbs, agar nanti dapat dilanjutkan dengan uji In vitro. Metode yang digunakan dalam penelitian ini adalah preparasi reseptor dan ligan, validasi Gridbox, Penambatan dan Visualisasi hasil. Hasil yang diperoleh dari penambatan senyawa Mangiferin dengan reseptor Sap 5 pada energi bebas Gibbs pada ulangan ke satu sebesar -8.6190 Kcal/mol. Namun, hasil yang stabil dalam penambatan senyawa Mangiferin dengan Sap 5 yaitu berada pada nilai -8.6170 Kcal/mol.
Kata Kunci: Candida albicans, Penambatan, In silico, Mangiferin, Sap 5
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