Exploring Protein Function Through In Silico Investigation: The Role of the Nsp5 Protease in SARS‐Cov‐2 Evolution

• DOI: 10.1096/fasebj.2022.36.s1.r2954
• Publication Date: 2022-05-03T09:35:39Z
• Authors: Jenna Currier; Marilyn Orellana; Ashish Duvvuru; Michael Pikaart
• Keywords: Biomedicine; Protease inhibitor (pharmacology); 2019-20 coronavirus outbreak

The Biochemistry Authentic Scientific Inquiry Laboratory (BASIL) has provided undergraduate biochemistry students with an inquiry-based investigation into protein structure using a combination of computational and wet-lab experimentation. Based on the skill set developed, BASIL faculty were invited to join week-long online boot camp hosted by Dr. Stephen Burley colleagues at Rutgers University Institute for Quantitative Biomedicine in July 2020. This session, entitled "The Summer Coronaverse," saw teams researchers analyzing genomic data track emergence different variants SARS-CoV-2 Nsp5 (also known as main protease or Mpro ) sequence. Teams used Mol*and FoldIt model further analyze mutations amino acids, categorizing them conservative/nonconservative, location (surface/interior/boundary). Most from existing strains located distal enzyme's active site did not greatly effect estimated stability relative parental As result week spent investing these mutations, (a) learned use online, accessible analysis tools, (b) experienced partnering large team investigators, (c) contributed ongoing science, including publishing manuscript their results.