INTERACTION OF FAVIPIRAVIR AND RIBAVIRIN COMPOUNDS WITH DNA BASES

INTERACTION OF FAVIPIRAVIR AND RIBAVIRIN COMPOUNDS WITH DNA BASES

INVESTIGATION OF INTERACTION DNA BASES WITH FAVIPIRAVIR AND RIBAVIRIN USED IN THE TREATMENT OF COVID-19 BY DFT

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Different properties of the molecular structures of favipiravir and ribavirin, which are used in the treatment of SARS-CoV-2 and also needed in the treatment of coronavirus disease (COVID-19) in recent years, have been investigated using Density Functional Theory (DFT) B3LYP/6-311G(d, p) and 6-311+G(d, p) methods. The geometrical optimization of the molecular structures of favipiravir and ribavirin was made in the ground state, gas, and water solvent environments, the bond parameters were obtained and the theoretical results were compared with the values in the literature. By obtaining molecul...