Three students in the Drug Discovery IMSA SIR Course Present Projects at the American Chemical Society’s Chicago Virtual Symposium - Illinois Mathematics and Science Academy

Three students in the Drug Discovery IMSA SIR Course Present Projects at the American Chemical Society’s Chicago Virtual Symposium

February 28, 2021

The Chicago Section of the American Chemical Society is a professional organization of approximately 4500 chemists in the greater Chicagoland area. The local branch of the national ACS, is the largest scientific society in the world and covers Illinois counties: Cook, Lake, McHenry, Kane, and DuPage, plus the Indiana counties of Lake and Porter.

Ariela Asllani and Jackson Grotke showcased their abstract, Design of SARS-CoV-2 main protease inhibitors by computer aided drug design. They selected a fragment from the COVID Moonshot database (x2600) as a starting point to design new compounds. Using molecular simulation software such as SeeSAR, new compounds were designed and their binding affinities computed. ADME prediction websites such as AdmetSAR and SwissADME, were then utilized to compute the new compounds’ pharmacokinetic and physicochemical properties. The newly designed compounds improve on aspects such as binding affinity, torsion angles, ligand lipophilicity efficiency, and pharmacokinetic properties.

Emma Darbro presented her investigation on the Antimicrobial properties of Ginkgo Biloba. She used different combinations and methods of extraction and testing procedures, then determined that methanol extracts of Ginkgo leaf and ethanol extracts of Ginkgo produced the best results for her study.  The extract was then tested against different ESKAPE pathogens; the most successful cases being Bacillus subtiliis and Acinetobacter baylyi. Results showed that Ginkgo Biloba has some medicinal properties that could help in killing certain types of bacteria.


The February 2021 Newsletter highlights the Symposium Day

Visit: https://chicagoacs.org/images/downloads/Chemical_Bulletin/2021_02_chembull.pdf

To learn more about the local Chicago section of ACS

Visit: https://chicagoacs.org/