CPDA Conference 2024

Drug Discovery Platform for the Rapid Discovery of Potent Drug Candidates for Addiction Related Target Proteins

 

Christoph Gorgulla

 Harvard Medical School and Department of Physics, Harvard University

 

On average, an approved drug currently costs US$2–3 billion and takes more than 10 years to develop. In part, this is due to expensive and time-consuming wet-laboratory experiments, poor initial hit compounds and the high attrition rates in the (pre-)clinical phases. These challenges also affect small-molecule drug development projects aiming to reverse addiction and prevent drug abuse. Structure-based virtual screenings have the potential to mitigate the above mentioned problems. Within structure-based virtual screenings, the quality of the hits improves with the number of compounds screened. In this talk I will describe VirtualFlow, a highly automated and versatile drug discovery platform with perfect scaling behaviour that is able to prepare and efficiently screen ultra-large libraries of compounds. VirtualFlow was the first platform able to routinely screen billions of commercially available molecules.