Rational drug discovery is a methodical approach to developing new medicines that goes beyond traditional trial-and-error techniques. It relies on a deep understanding of biological targets to design molecules that can effectively bind to modulate their functions. This approach saves time and resources by predicting interactions using computational modelling and structural biology. At the core of rational drug discovery is medicinal chemistry, which incorporates principles from physical, analytical, biological, and organic chemistry. To educate others about the discovery process of medicines, the Department of Chemistry at the School of Advanced Sciences, Vellore Institute of Technology, is hosting a two-day workshop titled “Fundamentals of Rational Drug Discovery”.