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Your search keyword '"Kurnianto, Syarafina Ramadhanisa"' showing total 2 results
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2 results on '"Kurnianto, Syarafina Ramadhanisa"'

1. Molecular docking simulation of copper oxide and zinc oxide nanoparticles toward target enzyme SARS-CoV-2 Rdrp.

Author

Kurnianto, Syarafina Ramadhanisa, Simarmata, Ara Gamaliel Boanerges, Fatriansyah, Jaka Fajar, Anis, Muhammad, Rizqillah, Raihan Kenji, and Yasin, Muhammad Ariq

Subjects
*ZINC oxide, *MOLECULAR docking, *SARS-CoV-2, *COPPER oxide, *LIFE cycles (Biology), *NANOPARTICLES
Abstract

The COVID-19 pandemic caused by the SARS-CoV-2 virus has infected over 2 million people in Indonesia and has killed over 60 thousand. The urgency of the situation drove researchers to prevent the spread of SARS-CoV-2. One method to disinfect surfaces contaminated by SARS-CoV-2 is by attacking RdRp, an enzyme crucial to the virus's life cycle. This in silico research has simulated molecular docking of copper oxide (CuO) and zinc oxide (ZnO) nanoparticles to determine the best nanoparticles for inhibiting the SARS-CoV-2 RdRp enzyme. The results of molecular docking were compared. The CuO nanoparticles obtained a docking score of −5.9 kcal/mol, whereas the ZnO nanoparticles obtained a docking score of −5.5 kcal/mole. Both nanoparticles show potential as antiviral agents against the SARS-CoV-2 RdRp enzyme. However, CuO nanoparticles have a better potential than ZnO nanoparticles. This study may serve as a reference to identify an antiviral agent suitable for disinfecting surfaces from SARS-CoV-2 contamination. [ABSTRACT FROM AUTHOR]

Published
2024
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2. Molecular Dynamics Simulation of Ligands from Anredera cordifolia (Binahong) to the Main Protease (Mpro) of SARS-CoV-2.

Author

Fatriansyah, Jaka Fajar, Boanerges, Ara Gamaliel, Kurnianto, Syarafina Ramadhanisa, Pradana, Agrin Febrian, Fadilah, and Surip, Siti Norasmah

Subjects
*MOLECULAR dynamics, *SARS-CoV-2, *PROCYANIDINS, *ROOT-mean-squares, *LIGANDS (Biochemistry)
Abstract

COVID-19 in Indonesia is considered to be entering the endemic phase, and the population is expected to live side by side with the SARS-CoV 2 viruses and their variants. In this study, procyanidin, oleic acid, methyl linoleic acid, and vitexin, four compounds from binahong leaves-tropical/subtropical plant, were examined for their interactions with the major protease (Mpro) of the SARS-CoV 2 virus. Molecular dynamics simulation shows that procyanidin and vitexin have the best docking scores of −9.132 and −8.433, respectively. Molecular dynamics simulation also shows that procyanidin and vitexin have the best Root Mean Square Displacement (RMSD) and Root Mean Square Fluctuation (RMSF) performance due to dominant hydrogen, hydrophobic, and water bridge interactions. However, further strain energy calculation obtained from ligand torsion analyses, procyanidin and vitexin do not conform as much as quercetin as ligand control even though these two ligands have good performance in terms of interaction with the target protein. [ABSTRACT FROM AUTHOR]

Published
2022
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