We report results of our study of approved drugs as potential treatments for COVID-19 based on the application of various bioinformatics predictive methods. The drugs studied include hydroxychloroquine, ivermectin, remdesivir and alpha-difluoromethylornithine (DMFO). Our results indicate that these small drug molecules selectively bind to thermodynamically active residues on protein surfaces , and that some prefer hydrophobic over other active sites. Our approach is not restricted to viruses and can facilitate rational drug design, as well as improve our understanding of molecular interactions, in general.
We report results of our study of approved drugs as potential treatments for COVID 19, based on the application of various bioinformatics predictive methods. The drugs studied include hydroxychloroquine, Ivermectin, Remdesivir and alpha-difluoromethylornithine (DMFO). Our results indicate that these small drug molecules selectively bind to kinetically active and residues adjoining them on the surface and inside protein , and that some prefer hydrophobic over other active sites. Our approach is not restricted to viruses and can facilitate rational drug design, as well as improve our understanding of molecular interactions, in general.
R
COVID-19
COVID 19,
R
ivermectin, remdesivir
Ivermectin, Remdesivir
R
thermodynamically active residues on protein surfaces
kinetically active and residues adjoining them on the surface and inside protein