TY - JOUR
T1 - Molecular Docking Simulation of Copper Oxide and Zinc Oxide Nanoparticles Toward Target Enzyme SARS-CoV-2 Rdrp
AU - Kurnianto, Syarafina Ramadhanisa
AU - Simarmata, Ara Gamaliel Boanerges
AU - Fatriansyah, Jaka Fajar
AU - Anis, Muhammad
AU - Rizqillah, Raihan Kenji
AU - Yasin, Muhammad Ariq
N1 - Publisher Copyright:
© 2024 American Institute of Physics Inc.. All rights reserved.
PY - 2024/3/7
Y1 - 2024/3/7
N2 - 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.
AB - 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.
KW - COVID-19
KW - Metal oxide nanoparticles
KW - Molecular docking
KW - RNA-dependent RNA polymerase
UR - http://www.scopus.com/inward/record.url?scp=85188432591&partnerID=8YFLogxK
U2 - 10.1063/5.0198671
DO - 10.1063/5.0198671
M3 - Conference article
AN - SCOPUS:85188432591
SN - 0094-243X
VL - 3080
JO - AIP Conference Proceedings
JF - AIP Conference Proceedings
IS - 1
M1 - 060001
T2 - 15th Asian Congress on Biotechnology in conjunction with the 7th International Symposium on Biomedical Engineering, ACB-ISBE 2022
Y2 - 2 October 2022 through 6 October 2022
ER -
