Every day, a large number of individuals die as a result of the devastating disease COVID-19. Based on molecular docking simulations, the dapsone molecule has been presented as a possible antiviral for the treatment of COVID-19 illnesses in this study. Additionally, investigate the interaction of dapsone with mono and di amino acid molecules. Hartree Fock at the (STO-3G) technique was used to explore molecule geometries, electronic characteristics, and mo-lecular electrostatic potential. Docking calculations were performed to assess dapsone's pharmacological actions against coronavirus infections.
Primary Language | English |
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Subjects | Chemical Engineering |
Journal Section | Research Article |
Authors | |
Early Pub Date | March 4, 2024 |
Publication Date | |
Submission Date | May 22, 2023 |
Published in Issue | Year 2024 Volume: 8 Issue: 3 |
Journal Full Title: Turkish Computational and Theoretical Chemistry
Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)