The life cycle of the Severe Acute Respiratory Syndrome coronavirus (SARS-CoV) requires the activity of a processing protease (Mpro) for its maturation and processing. Mpro is therefore, an attractive target for design of anti-SARS drugs. Advances in computational chemistry and the availability of physical models of the active site of the viral protease have allowed for the visualization of the ligand-binding site in three dimensions. Students in advanced science classes are able to approach drug design from a number of fronts. Using online, open-access biomedical platforms, students are able to design potential inhibitors of Mpro. The interaction of the ligand with the active site is then scored based on the ability of a molecular construct to dock. An extension of this project utilizes bioinformatics tools to search for known antiviral drugs that may also arrest the maturation of SARS-CoV. BLAST can be used as a search tool to find other viral protease targets that share homologous amino acid sequences to Mpro but have known inhibitors. If any of the antiviral drugs are able to interact with domains in the active site of Mpro, then such molecular structures can potentially become the template for constructing "better fit" molecules. The onset of the SARS-CoV 2 pandemic has greatly impacted the availability of lab-based in-person research internships for students. This multi-disciplinary approach challenges students in Biology, Chemistry and Computer Sciences and provides for them real-life experiences in independent research in the absence of a brick-and-mortar lab. It fosters creative and critical thinking in students and opens opportunities for teamwork and collaboration in drug discovery.

Drug discovery and three-dimensional drug design of SARS coronavirus protease inhibitors:  A cross-curricular project-based learning approach to teaching advanced high school science

ACS Fall 2021

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.