Abstract

Exploring 3-D Pharmaceutical Space: Lead-oriented and Fragment-oriented Synthesis

Peter O'Brien, Professor, University of York

There is growing interest in the exploring new areas of pharmaceutical space. In this context, exploration of 3-D chemical space is topical.  Given that our group has a long-standing interest in the asymmetric synthesis of saturated nitrogen heterocycles such as pyrrolidines, piperidines and piperazines, we have now turned our attention to the design, evaluation and synthesis of 3-D lead-like molecules and fragments. Our recent results in both areas will be presented, and will demonstrate the usefulness of Principal Moments of Inertia (PMI) plots for assessing 3-D pharmaceutical space. The first part of the talk will cover an organolithium approach to new scaffolds. In the second part, our approach for analysing 3-D fragments will be presented.