Abstract

The generation of new chemical leads using combinatorial chemical techniques has become a major focus in the pharmaceutical industry. The design of quality library building blocks that are likely to yield hits from product structures is central to this process. This talk describes a powerful new technique called "RECAP" - a Retrosynthetic Combinatorial Analysis Procedure we have developed that computationally fragments molecules into fragments. Fragments identified can be used as "privileged structures" for combinatorial library design of core templates and monomers. Examples of fragmenting the WDI and information gained on various drug motifs, and how to incorporate drug motifs in library designs are discussed.