Structure-based drug repositioning: Potential and limits

Drug repositioning, the assignment of new therapeutic purposes to known drugs, is an established strategy with many repurposed drugs on the market and many more at experimental stage. We review three use cases, a herpes drug with benefits in cancer, a cancer drug with potential in autoimmune disease, and a selective and an unspecific drug binding the same target (GPCR). We explore these use cases from a structural point of view focusing on a deep understanding of the underlying drug-target interactions. We review tools and data needed for such a drug-centric structural repositioning approach. Finally, we show that the availability of data on targets is an important limiting factor to realize the full potential of structural drug-repositioning.

Automated summary

Drug repositioning is a strategy to assign new therapeutic purposes to known drugs, with many success cases in the market and more in experimental stage. Understanding drug-target interactions is crucial, and the availability of target data is a limiting factor for realizing the full potential of structural drug repositioning.