Analisis In silico Heksosa, D-Manitol dan Asam Malat Kulit Kopi sebagai Penghambat Infeksi Virus Corona
DOI:
https://doi.org/10.24002/biota.v8i2.5970Keywords:
asam malat, D-manitol, heksosa, kulit kopi, spike glycoprotein–ACE2, virus coronaAbstract
COVID-19 merupakan penyakit infeksi saluran pernapasan yang disebabkan oleh virus corona, dan telah menjadi pandemik dari 2019 hingga 2022. Berbagai terapi telah dilakukan dan dikembangkan oleh banyak peneliti, termasuk pembuatan vaksin COVID-19. Penelitian ini bertujuan untuk menganalisis potensi senyawa pada kulit kopi sebagai agen penghambat kompleks antara spike glycoprotein SARS-CoV-2 dan Angiotensin-Converting Enzyme 2 (ACE2) secara in silico. Kajian in silico dilakukan dengan mengunduh struktur 3D senyawa yaitu heksosa, asam malat, dan D-manitol dari PubChem NCBI, serta kompleks spike glycoprotein SARS-CoV-2 – ACE2 dari Protein Data Bank. Interaksi masing-masing senyawa uji dan kompleks dianalisis dengan Molegro Virtual Docker dan divisualisasi dengan Discovery Studio. Hasil analisis menunjukkan bahwa heksosa, asam malat dan D-manitol mengikat bagian diantara spike glycoprotein SARS-CoV-2 dan ACE2. Residu sisi aktif ikatan antara kompleks dengan ketiga senyawa uji merupakan residu protein dari ACE2 dan spike glycoprotein SARS-CoV-2. Jenis ikatan yang terbentuk antara senyawa dan kompleks protein didominasi oleh ikatan hidrogen, dan beberapa gaya Van der Waals. Dari hasil analisis dapat disimpulkan bahwa senyawa heksosa, asam malat, dan D-manitol yang ada pada kulit kopi memiliki potensi sebagai anti SARS-CoV-2, namun demikian itu perlu dilakukan pembuktian secara in vitro dan in vivo.
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