Rational Design of COVID-19 Drug Leads from Cancer Therapeutics

Although the COVID-19 pandemic has eased, the virus continues to evolve. The development of new, targeted antiviral drugs remains crucial for preparedness against future outbreaks.

This research began with drug repurposing screening, which revealed that lapatinib—an approved breast cancer drug—can bind to and inhibit the main protease (Mpro) of SARS-CoV-2, a key enzyme required for viral replication.

Led by Assoc. Prof. Dr. Tanatorn Khotavivattana from the Department of Chemistry, Faculty of Science, Chulalongkorn University, the team applied rational drug design and molecular docking to redesign lapatinib’s structure for better interaction with Mpro. More than 20 novel analogues were synthesized and evaluated for their antiviral potential.