Uji Potensi Senyawa Metabolit Sekunder Tanaman Putri Malu (Mimosa pudica L.) Sebagai Inhibitor Xanthine Oxidase Secara In Silico
DOI:
https://doi.org/10.31764/lf.v3i2.8385Keywords:
Autodock 4, Hyperuricemia, Xanthine Oxydase, Mimosa pudica L, Molecular docking.Abstract
ABSTRAKXantin oksidase merupakan enzim yang berperan sebagai katalisator dalam oksidasi hipoksantin menjadi xantin dan xantin menjadi asam urat. Peningkatan kadar asam urat disebut dengan hiperurisemia yaitu kondisi kadar asam urat serum meningkat melebihi dari nilai normal yaitu >6 mg/dL pada wanita dan >7 mg/dL pada pria yang mana dapat menyebabkan komplikasi seperti pirai dan batu ginjal. Secara in vivo dan in vitro, putri malu (Mimosa pudica L.) memiliki aktivitas sebagai inhibitor xantin oksidase. Penelitian ini dilakukan dengann tujuan untuk mengetahui senyawa metabolit sekunder herba putri malu yang berpotensi dalam menghambat aktivitas enzim xantin oksidase. Penelitian ini dilakukan dengann metode in silico molecular docking yaitu penambatan ligan uji dari 14 senyawa metabolit sekunder herba putri malu dengan xantin oksidase (PDB ID: 3NVW) menggunakan program Autodock 4.2 dengan senyawa pembanding Allopurinol. Hasil yang diperoleh menunjukkan senyawa uji terbaik yang berpotensi menghambat aktivitas xantin oksidase yang ditandai dengan rendahnya nilai energi bebas (-∆G) yaitu hernancorizin (-10,12 kcal/mol), crocetin (-8,53 kcal/mol), luteolin (-8,48 kcal/mol), diplotasin (-8,35kcal/mol), quersetin (-8,20 kcal/mol), dan mimopudin (-8,05 kcal/mol). Selain itu, asam amino yang paling banyak terlibat berdasarkan hasil interaksi pembentukan ikatan hidrogen ligan-protein yaitu Glu 802, Arg 880, Glu 1261 dan Thr 1010. Berdasarkan hasil penambatan yang dilakukan, senyawa hernancorizin memiliki potensi besar dalam penghambatan enzim xantin oksidase karena memiliki kekuatan dan kestabilan yang tinggi dengan energi penambatan terendah ketika ditambatkan dengan protein target.ÂKata kunci :Autodock 4;Hiperurisemia;Inhibitor xantine oksidase;Mimosa pudica L;Penambatan molekul.
ASBTRACT
Xanthine oxidase is an enzyme that acts as a catalyst in the oxidation of hypoxanthine to xanthine and xanthine to uric acid. Increased uric acid levels are called hyperuricemia, which is a condition where serum uric acid levels increase beyond the normal value, namely > 7 mg/dL in men and > 6 mg/dL in women, which can cause complications such as gout and kidney stones. In vitro and in vivo, Putri malu (Mimosa pudica L.) can inhibit xanthine oxidase activity. This study was conducted to determine the content of secondary metabolites in the Putri malu herb, which is thought to determine the activity of the xanthine oxidase enzyme. This research was carried out in silico with ligand tethering of 14 secondary metabolites of the Putri malu herb with xanthine oxidase (PDB ID: 3NVW) using the Autodock 4.2 program with the comparison compound Allopurinol. The results showed that the best compounds that might inhibit xanthine oxidase activity were characterized by a low value of free energy (-∆G) namely hernancorizin (-10,12 kcal/mol), crocetin (-8,53 kcal/mol), luteolin (-8,48 kcal/mol), diplotasin (-8,35kcal/mol), quercetin (-8,20 kcal/mol), dan mimopudine (-8,05 kcal/mol). Selain In addition, the most involved amino acids based on the interaction of hydrogen ligand-protein interactions were Glu 802, Arg 880, Glu 1261 and Thr 1010. Based on the tethering results, hernancorizin has great potential in inhibiting xanthine oxidase because it has high strength and stability with the lowest binding energy when attached to the target protein.
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Keywords : Autodock 4; Hyperuricemia; Xanthine Oxydase; Mimosa pudica L; Molecular docking.
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