SARS-COV-2 INHIBITION BY GINGER EXTRACTION: THEORETICAL AND MODELING STUDIES

In the current study, Shogoals (E)-1-(4-Hydroxy-3-methoxyphenyl) dec-4-en-3-one) (1), a chemical derived from ginger, was examined for its potential to suppress SARS-Cov-2. The interaction of extracted chemicals with the spikes on the virus may prevent the virus from replicating or give the immune system time to recognize the virus and produce effective antibodies. Software such as LigPlus, UCA FUKUI, MGL tools, and Gaussian 09 with a 6-311G (d, p) basis set were used. Utilizing the Total Electron Density (TED), FUKUI function, and Millikan charges, the active locations for adsorption were found. Furthermore, docking studies demonstrated unequivocally that binding energy (Eb) and ligand efficiency (LE) are required for the prevention of viral propagation. Docking analysis demonstrated the examined compound's potential to inhibit SARS-CoV-2.