Prediksi Asam Kuinat Sebagai Anti-Inflamasi Terhadap COX-2 Secara Virtual
DOI:
https://doi.org/10.24002/biota.v4i3.2516Keywords:
anti-inflamasi, asam amino, asam kuinat, cox-2, in silico, coffeeAbstract
Inflamasi merupakan mekanisme pertahanan tubuh terhadap terhadap rangsangan berbahaya, seperti patogen, sel-sel yang rusak, senyawa beracun, atau iradiasi. Selama inflamasi dalam tubuh terdapat COX-2 mediator inflamasi yang peran meningkatkan inflamasi. Sistem imun anti-inflamasi yang mengalami mutasi menyebabkan inflmasi meningkat. Oleh karena itu untuk menurnkannya menggunakan bioaktif alam. Asam kuinat memiliki toksisitas yang sangat rendah dan tidak memberikan efek negatif terhadap organ tubuh manusia. Asam kuinat memiliki potensi yang besar sebagai kandidat obat tertinggi dalam terapi. Akan tetapi kurangnya kajiannya. Penelitian ini bertujuan unutk memprediksi potensi serta menganalisis asam kuinat sebagai agen inflamasi dengan cara menghambat COX-2. Metode yang digunakan terdiri atas pengunduhan protein COX-2 dari protein data bank (PDB) dan asam kuinat diperoleh dari database PubChem, persiapan protein (COX-2) dan ligan (asam Kuinat) dengan program PyRx, analisis interaksi protein dan ligan menggunakan program Hex 8.0.0 dan Discovery Studio client 4. Interaksi antara protein dan ligan menunjukan hasil positif dengan ditemukan 2 domain protein yang berikatan dengan asam kuinat. Protein domain A (GLU140, ASN144, SER143, dan TRP139) dan protein domain B (GLU236, THR237, LYS333, GLN241, GLN330, PHE329, dan LEU238). Ikatan yang terbentuk ada ikatan hidrogen dengan energi sebesar -198.95cal/mol. Asam kuinat diprediksi memiliki potensi sebagai terapi anti-inflamasi, hal ini ditunjukan karena ada ikatan yang terbentuk antara ligan dan 11 residu asam amino.
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