Uji Aktivitas Senyawa Bahan Alam terhadap Enzim Mpro pada SARS-CoV-2 Secara In Silico
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Pendahuluan: Lebih dari 200 negara telah mengalami 30 juta lebih kasus positif COVID-19 dengan angka kematian di atas 1 juta. Di Indonesia, telah terkonfirmasi 300 ribu lebih kasus COVID-19 dengan 11 ribu kasus kematian tercatat pada September 2020. Obat-obatan yang saat ini dijadikan pedoman terapi di antaranya, azitromisin, remdesivir, oseltamivir, dan nelfinavir. Akan tetapi, obat-obatan tersebut dilaporkan memiliki kekurangan sehingga penelitian lebih lanjut diperlukan untuk menemukan senyawa aktif untuk menekan COVID-19 secara efektif dan efisien. Dalam hal pencarian senyawa aktif yang berpotensi sebagai antivirus SARS-CoV-2, studi fitokimia terhadap senyawa-senyawa bahan alam terus dilakukan. Senyawa fentermin, luteolin-7-galaktosida, asam maslinat, asam glizirizinat, plantarisin, terpineol, guaiol, linalool, skutelarin-7-galaktosida, dan galokatekin telah diketahui dapat menghambat protein ACE-2 yang merupakan tempat masuk SARS-CoV-2 pada sel epitel sistem pernapasan manusia. Tujuan: Penelitian dilakukan untuk menemukan potensi interaksi lain senyawa bahan alam tersebut terhadap tubuh virus melalui interaksi dengan enzim Mpro sebagai komponen penting dalam replikasi dan transkripsi virus. Metode: Penelitian dilakukan dengan simulasi penambatan molekuler senyawa uji terhadap enzim Mpro (http://www.rscb.org, PDB ID: 6LU7). Hasil: Berdasarkan penelitian yang telah dilakukan, asam maslinat merupakan senyawa dengan interaksi terhadap Mpro paling potensial dengan energi bebas Gibbs sebesar -8,73 kkal/mol dan konstanta inhibisi 0,40 µM dan interaksi ikatan hidrogen dengan residu katalitik Mpro Cys145. Kesimpulan: Asam maslinat merupakan senyawa dengan potensi aktivitas dan afinitas paling tinggi terhadap enzim Mpro pada SARS-CoV-2.
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