Analisis Penambatan Molekul Kandungan Kimia Tanaman Kelor (Moringa oleifera Lam.) Terhadap Target Molekuler Terapi Penyakit Kardiovaskular
DOI:
https://doi.org/10.30595/pharmacy.v17i2.8689Keywords:
daun kelor, penambatan molekul, penyakit kardiovaskular, protein targetAbstract
Daun kelor (Moringa oleifera Lam.) secara empiris maupun berdasarkan hasil penelitian ilmiah terbukti memiliki efek terhadap beberapa penyakit kardiovaskular. Namun masih diperlukan penjelasan mengenai mekanisme kerja serta senyawa apa yang berpotensi aktif untuk pengobatan penyakit kardiovaskular. Penelitian ini bertujuan untuk mengetahui kandungan kimia dalam daun kelor yang diprediksi aktif terhadap protein target untuk terapi penyakit kardiovaskular secara in silico dengan metode analisis penambatan molekul. Prediksi protein target dilakukan dengan menggunakan webserver SwissTargetPrediction, SEA Search Server, dan SuperPrediction. Pemodelan interaksi senyawa dari daun kelor terhadap protein target hasil prediksi dilakukan dengan analisis penambatan molekul menggunakan perangkat lunak Autodock Vina yang kemudian divisualisasikan menggunakan Protein-Ligand Interaction Profiler (PLIP). Parameter yang diamati adalah energi bebas ikatan (ΔGbinding) dan kesesuaian residu asam amino yang terlibat dalam interaksi. Hasil skrining protein target menunjukkan bahwa senyawa-senyawa kimia dalam daun kelor diprediksi akan berinteraksi dengan Angiotensin-Converting Enzyme (ACE), 3-hydroxy-3-methylglutaryl Coenzyme A Reductase (HMGCR), reseptor β1-adrenergik, thrombin (faktor II), dan reseptor aldosteron. Berdasarkan hasil analisis Penambatan molekul, senyawa N-ɑ-L-rhamnopyranosyl vincosamide diprediksi memiliki afinitas terbaik terhadap enzim HMGCR, trombin, dan reseptor aldosteron dengan nilai ΔGbinding berturut-turut -11,1; -9,2; dan -11,2 kkal/mol. Kuersetin diprediksi memiliki afinitas terbaik terhadap reseptor aldosteron dengan nilai ΔGbinding -8,7 kkal/mol. Daucosterol diprediksi memiliki model interaksi paling sesuai dengan ligan asli terhadap HMGCR dan trombin, sedangkan N-ɑ-L-rhamnopyranosyl vincosamide terhadap reseptor aldosteron.References
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