Fragment-based drug discovery (FBDD) frequently necessitates the implementation of synthetically challenging synthesis steps in order to grow a promising fragment into a lead compound. To solve these complex problems, new experimental techniques and optimisation methods are in high demand.

This project focusses on the joint integration of such methods, namely high-throughput experimentation (HTE) and closed-loop autonomous optimisation in continuous flow, which are used to efficiently execute fragment-to-lead syntheses. Furthermore, we are also investigating the application of these methods to optimise photoredox and electrochemical reactions to generate high-value complex intermediates for FBDD.

This work is carried out as a joint postdoctoral project between Astex Pharmaceuticals and Prof. Alexei Lapkin’s group at the Innovations Centre in Digital Molecular Technologies (iDMT) at the Chemistry Department, University of Cambridge.