Chemistry

Schedule

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2021
Wednesday, April 21st
8:50 AM

Covid Moonshot: Fragment Screening for SARS-CoV2 Main Protease (mPro)

Daniel Liu '22, Illinois Mathematics and Science Academy
Naveena Mutharasan '22, Illinois Mathematics and Science Academy

8:50 AM - 9:05 AM

The viral replication of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is particularly active early in the course of the disease, giving great value to antiviral therapeutics which hold the potential to halt further progression to the hyperinflammatory state and later stages of disease. Because antiviral therapy is currently high in the interests of the people, an internationally crowdsourced effort ... Read More

Design of oral antivirals for COVID-19

Kristina Williams '21, Illinois Mathematics and Science Academy

8:50 AM - 9:05 AM

COVID-19, caused by the SARS-CoV-2 virus, has resulted in over 119 million cases worldwide and over 2.6 million deaths as of March 2021. Remdesivir is an intravenous antiviral used to treat the virus, but there is still a need for oral antivirals for COVID-19. To find suitable molecules to be used in an antiviral medicine, SeeSAR, a drug design platform, ... Read More

Design of SARS-CoV-2 Main Protease Inhibitors by Computer Aided Drug Design in Collaboration with the COVID Moonshot Initiative

Jack Grotke '21, Illinois Mathematics and Science Academy
Ariela Asllani '22, Illinois Mathematics and Science Academy

8:50 AM - 9:05 AM

In early December 2019, a novel coronavirus pandemic broke out in the city of Wuhan, China Hubei Province. As of the end of February 2021, nearly 114 million people have been infected worldwide, and over 513 thousand have died in the United States alone.. SARS-CoV-2 is a positive-sense, enveloped, single-stranded RNA Betacoronavirus and is the disease-causing agent for Covid-19. Of ... Read More

Modeling COVID-19 antivirals with Computer Aided Drug Design in conjunction with the COVID Moonshot project

Avdhan Kandikattu '22, Illinois Mathematics and Science Academy

8:50 AM - 9:05 AM

In late 2019 to early 2020, SARS-CoV-2 emerged and caused the 2019-novel-coronavirus (COVID-19) to transmit throughout the globe in a short period of time. Due to the sudden emergence of the virus, specific antiviral drugs are still in the process of being manufactured, which could be necessary for treating COVID-19 patients. To accelerate the development of antiviral drugs, the COVID ... Read More

Molecular Modeling of Hydrocarbon Solvent Interactions and Lithium-ion

Mathew Illimoottil '22, Illinois Mathematics and Science Academy

8:50 AM - 9:05 AM

Much work goes into the creation and analysis of organic molecules that can stabilize lithium ions. Stabilization is important for ion transport in Li-ion batteries. Compounds also need to be stable across the voltage window for the battery's operation. We evaluated the potency of a few solvents in their interaction with lithium ions. We used Spartan Student v8 to model ... Read More

Utilizing Computational Chemistry to Crowdsource a Treatment for SARS-CoV-2

Quinn Verdeyen '22, Illinois Mathematics and Science Academy

8:50 AM - 9:05 AM

In December 2019, a novel coronavirus was detected in the Chinese city of Wuhan, Hubei Province. Nearly affecting all facets of life in China, this virus soon spread to the rest of the world, and on March 11, 2020, the World Health Organization declared a worldwide pandemic for SARS-CoV-2. Due to this unprecedented situation, medical researchers were left racing to ... Read More

9:10 AM

Analysis of Compounds Designed from Fragment #x0398 for SARS-CoV-2 Main Protease

Morgan Johnson '22, Illinois Mathematics and Science Academy
Samantha Gong '22, Illinois Mathematics and Science Academy

9:10 AM - 9:25 AM

With the current COVID-19 pandemic, the need for treatments has become one of the world’s top priorities. At the time that we started this project, there were no approved treatments or vaccines to treat the virus, so our project focused on developing an antiviral for COVID-19. Using Computer Aided Drug Design programs called SeeSar and Swiss ADME, we designed new ... Read More

Modeling of The Oxygen Evolving Complex

Resh Mukherjee '22, Illinois Mathematics and Science Academy

9:10 AM - 9:25 AM

Coral reefs are an essential part of the ocean ecosystem, providing a rich habitat that supports many diverse lifeforms. Further, these reefs are important economically as they are a major draw for tourists around the world; their destruction could prove catastrophic. A rise in ocean temperatures has been linked with the bleaching of coral reefs. More specifically the temperature rise ... Read More

9:30 AM

COVID Moonshot Computer-Aided Drug Design of SARS-CoV-2 Oral Antivirals

Saachi Kumar '21, Illinois Mathematics and Science Academy
Ruchi Patel '21, Illinois Mathematics and Science Academy

9:30 AM - 9:45 AM

Through this study, ten compounds that could potentially serve as an oral antiviral for the SARS-CoV-2 virus have been submitted to the crowdsourced COVID Moonshot initiative for synthesis and lab testing. The SARS-CoV-2 virus outbreak has caused the spread of COVID-19, resulting in 2.6 million deaths worldwide since January 2020 as of March 2021. Although the availability of the Pfizer ... Read More

10:05 AM

Design of COVID-19 Antivirals Using Computer Modeling

Isabella Chen '22, Illinois Mathematics and Science Academy
Lethzeylee Gutierrez '22, Illinois Mathematics and Science Academy
Andrea Torres '22, Illinois Mathematics and Science Academy

10:05 AM - 10:20 AM

The discovery and development of effective antiviral drugs for COVID-19 are urgent and ongoing. An initiative to contribute to this process is COVID Moonshot project. The aim of the project is to rapidly develop easily manufacturable antiviral drugs that can inhibit the SARS-CoV-2 main protease. To provide leads for the intractable biological target in COVID, we used fragment-based drug discovery ... Read More