| KEYWORD |
Analysis of CD147 inhibitors such as ivermectin, azithromycin with respect to their potential therapeutic use against the emerging COVID mutations
keywords CD-147, COMPUTATIONAL DRUG DESIGN, COVID-19, DRUG RESISTANCE, IVERMECTIN, MUTATIONS, SPIKE PROTEIN
Reference persons MARCO AGOSTINO DERIU, JACEK ADAM TUSZYNSKI
Research Groups 28- biomedica
Description Several studies indicate that ivermectin and azithromycin are efficacious for some group of COVID patients. Some structures of CD147 and its fragments are found in the PDB. This project would involve docking of these two compounds to CD147 to find out if this could be a possible mode of action in the case of COVID-19 by blocking the propagation of COVID through the cardiovascular system. In addition, other compounds in the same class as ivermectin will be computationally analyzed for binding to the spike protein as well as the Alpha 7 Nicotinic Acetylcholine Receptor on host cells, which could provide another avenue of significant clinical benefit. Finally, these results will be investigated with respect to the emerging COVID-19 mutations, such as the UK, South African and Brazilian vartiants. The student will collaborate in this project with researchers at the University of Alberta who can test the findings in vitro as well as with a collaborating clinician at Yale Medical School, Prof. Alessandro Santin.
Required skills basic computational modeling experience with software for molecular dynamics, docking, virtual screening and pharmacokinetics.
Notes Provided international travel is allowed, the student will spend a period of 4-6 months at the University of Alberta, Edmonton, Canada
Deadline 10/05/2022
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