A design strategy for drug-like polyheterocycles with privileged substructures for discovery of specific small-molecule modulators

Abstract

We demonstrated the importance of maximized skeletal diversity of privileged substructures for the construction of a drug-like small-molecule library through a series of high-throughput screening and subsequent bioevaluations. Our divergent pDOS strategy can provide an efficient approach for the discovery of novel small-molecule modulators with excellent specificity.