Molecular Interaction Analysis of Homodihydrocapsaicin as COX-2 Inhibitor

Maria Nona Elci Lele, Nurul Imaniyah Ahmad, Yohanes Bare

Abstract


Pemanfaatan Capsicum frutescens L sebagai terapi berbagai penyakit  salah satunya inflamasi di dalam tubuh, menjadi fokus saat ini dikarenakan mengandung senyawa bersifat farmakologis seperti homodihydrocapsaicin. Senyawa yang diperoleh homodihydrocapsaicin didownload SMILES dari aplikasi PubChem dengan (CID: 3084336) diunduh dari database PubChem, Protein COX-2 (ID 6cox) diunduh dari Protein Data Bank. Proses preparasi protein dan ligan,  docking, visualisasi maupun analisis mengadopsi penelitian sebelumnya. Tujuan penelitian menganalisis interaksi molekuler senyawa homodihydrocapsaicin sebagai Inhibitor COX-2. Interaksi senyawa homodihydrocapsaicin dan COX-2 membentuk beberapa ikatan residu asam amino yang membentuk ikatan hidrofobik, ikatan hydrogen, dan gaya van der Waals. Energi ikatan yang terbentuk adalah -284.86 cal/mol, sehingga senyawa   homodihydrocapsaicin sebagai terapi inflamasi dengan menghambat mediator inflamasi (COX-2). Capsicum frutescens L. dapat dimanfaatkan sebagai terapi inflamasi didalam tubuh.


Keywords


Capsicum frutescens L, cox-2, homodihydrocapsaicin

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References


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DOI: http://dx.doi.org/10.55241/spibio.v3i2.63

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