Abstract
Coronavirus disease 2019 (COVID-19), an infectious disease caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), was first reported in Wuhan, China, in December 2019 and has rapidly spread throughout the world. By April 2, 2020, COVID-19 had infected more than one million individuals and was responsible for over 50,000 fatalities. No specific antiviral drug for this pandemic currently exists. Drug discovery involves target discovery, lead discovery, lead optimization, preclinical development, three phases of clinical trials, and an eventual market launch — only if everything goes well. On average, bringing a new drug to market requires about $2.6 billion dollars and over 10 years of preparation. It typically takes researchers more than a year to develop effective viral vaccines. Drug repositioning (also known as drug repurposing)—which involves the investigation of existing drugs for new therapeutic target indications—is one of the most feasible strategies for treating COVID-19 patients.
Duc Nguyen
Associate Professor of Mathematics
Duc Nguyen develops mathematical and AI frameworks for molecular bioscience, drug discovery, and scientific computing. His group blends differential geometry, graph theory, and machine learning to build high-fidelity models for biomolecular systems, with notable wins in the D3R Grand Challenges and collaborations with Pfizer and Bristol Myers Squibb. Supported by multiple NSF awards, he has advised students and postdocs across theory and applications of AI-driven drug design.