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All Studies   Meta Analysis   Recent:  

Analisis in silico interaksi senyawa kurkuminoid terhadap enzim main protease 6LU7 dari SARS-CoV-2

Winih Kinasih et al., Duta Pharma Journal, doi:10.47701/djp.v3i1.2904
Jun 2023  
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In Silico study of the interaction between curcumin and its derivatives with the main protease enzyme from SARS-CoV-2. The compounds tested were curcumin, bisdemethoxycurcumin, and demethoxycurcumin. All compounds met the requirements of Lipinski's Rule of Five, indicating they have drug-like properties. Bisdemethoxycurcumin had the highest binding affinity (lowest docking score of -6.7 kcal/mol) to the protease, suggesting it is the most potent inhibitor of the enzyme. Bisdemethoxycurcumin shared the most amino acid residues with the reference ligand favipiravir. This suggests bisdemethoxycurcumin has potential as an antiviral agent against SARS-CoV-2 by inhibiting its main protease enzyme.
Winih Kinasih et al., 30 Jun 2023, peer-reviewed, 3 authors.
Contact: ahone.far02@gmail.com.
In Silico studies are an important part of preclinical research, however results may be very different in vivo.
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ANALISIS IN SILICO INTERAKSI SENYAWA KURKUMINOID TERHADAP ENZIM MAIN PROTEASE 6LU7 DARI SARS-COV-2
Angkininta Ayu, Winih Kinasih, Fadilah Qonitah
Covid-19 merupakan penyakit yang disebabkan coronavirus jenis baru (SARS-CoV-2) di akhir tahun 2019. Sampai saat ini tidak ada obat khusus yang tersedia untuk mengobati penyakit ini. Pengobatan tradisional telah memainkan peran positif dalam memerangi Covid-19. Beberapa senyawa aktif mulai dilakukan penelitian untuk menangkal virus Covid-19 salah satunya adalah senyawa kurkumin. Kurkumin merupakan senyawa aktif dari tanaman kunyit dan temulawak. Berdasarkan penelitian dilaporkan kurkumin dapat menghambat agregasi trombosit, antidiabetes, antitumor, efek antiinflamasi, efek antioksidan, dan antivirus. Penelitian ini bertujuan untuk mengetahui interaksi antara senyawa kurkuminoid terhadap enzim main protease 6LU7 dari SARS CoV-2 serta senyawa kurkuminoid yang dapat berikatan dengan enzim main protease 6LU7 dari SARS CoV-2. Penelitian ini termasuk jenis penelitian eksperimental secara in silico. Hasil penelitian ini diperoleh senyawa uji kurkumin dan turunannya yaitu kurkumin, bisdemetoksikurkumin, dan demetoksikurkumin telah memenuhi syarat hukum Lipinksi Rule of Five. Bisdemetoksikurkumin memiliki kemampuan sebagai antivirus SARS-CoV-2 karena memiliki persamaan residu asam amino paling banyak dengan ligan pembanding (Favipiravir) yaitu residu ASN A
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