MOLECULAR DOCKING DAN UJI TOKSISITAS REMDESIVIR, LOPINAVIR, RITONAVIR DAN FAVIPIRAVIR TERHADAP M-PROTEASE SARS-CoV-2

نویسندگان

چکیده

Protease inhibitor Lopinavir, Ritonavir, Remdesivir yang bekerja pada RNA polimerase virus (Main Protease) diprediksi dapat memberikan aktivitas baik dalam pengikatan dengan reseptor secara in silico dan potensial sebagai penghambat COVID-19. Tujuan penelitian ini adalah untuk mengetahui toksisitas Remdesivir, Favipiravir menggunakan software Toxtree interaksi kestabilan obat resepetor M-Protease SARS-CoV-2 metode Molecular Docking Dynamic. Senyawa uji dianalisis lipinski rule's of five, program Toxtree, simulasi Autodock 1.5.6 Dynamic MOE (Molecular Operating Environtment). Hasil favipiravir 5RF3 sebesar -6.32 kkal/mol, lopinavir 5RL4 -17.86 Ritonavir 5RL5 -17.19 kkal/mol , 5R83 -14.90 kkal/mol. senyawa Favipiravir, dilihat dari hasil procheck ramachandran persentase most favoured region 50% disallowed 15% kecocokan residu asam amino, diperoleh kategori kelas III, tidak bersifat karsinogenik genotoksik non genotoksik. memiliki kuat stabil sehingga dijadikan kandidat berpotensi pengobatan anti SARS-CoV-2.

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ژورنال

عنوان ژورنال: Pharmacoscript

سال: 2022

ISSN: ['2622-4941', '2685-1121']

DOI: https://doi.org/10.36423/pharmacoscript.v5i1.893