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Author

Justin Airas

Date of Award

2020

Document Type

Restricted Thesis: Campus only access

Degree Name

Bachelor of Science

Department

Chemistry

First Advisor

Dr. Carol A. Parish

Abstract

SARS-CoV-2 is a novel coronavirus responsible for the 2019-2020 outbreak of the disease known as COVID-19. Symptoms of this respiratory disease include a cough, fever, tiredness, and difficulty breathing. In severe cases, it can progress to pneumonia and respiratory failure. While the majority of those who contract this disease recover normally, the fatality rate and need for extended medical intervention is particularly high amongst vulnerable populations. These populations include those over the age of 60 and those with preexisting conditions such as asthma, diabetes, heart disease, or other conditions resulting in immune dysfunction. While no specific medicines have been developed for treating COVID-19, many currently existing drugs are being explored as potential treatments options. Schrödinger’s Glide program was used to generate unique poses for HIV/HCV protease inhibitors bound to the SARS-CoV-2 Mpro. Molecular dynamics (MD) and MMGBSA were used to estimate the binding affinity of each potential drug.

Available for download on Friday, May 07, 2021

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