Target information in lead discovery

Abstract

Effective categorization and description of targets is as important during lead discovery as it is during target identification and validation. The selection of targets to progress to lead identification, the efficiency of assay development, and the analysis of results from compound testing all benefit from the availability of high-quality target information and appropriate utilization tools during lead discovery. Specifically, associating target information with other information produced during lead generation enables: the assessment of emerging targets with respect to their chemical tractability; the grouping of data from similar targets to aid in the identification of potential lead compounds and ‘privileged structures’; and the results from compound testing to be analysed in the context of their biological target. Maximizing the value of the information remains challenging, and some of the current approaches to target classification might need to be modified or supplemented to be effective in lead discovery.