Solution Phase Synthesis of Chemical Libraries for Lead Discovery

By integrating advanced computational design and synthesis, a series of structurally diverse reaction products based on three core scaffolds were prepared by a propietary high throughput synthesis method. Incorporation of auto-mated work stations and sample handling techniques allowed for the production of more than 20,000 compounds in a relatively short time. A method to efficiently obtain quantitative and qualitative analytical data on these compounds was developed. Structural comparison of the individual members of this library with a database of clinical drug candidates revealed a significant degree of similarity based on Tanimoto coefficients.