Hierarchical Virtual Screening Approaches in Small Molecule Drug Discovery

Hierarchical Virtual Screening Approaches in Small Molecule Drug Discovery. Ashutosh Kumar, Kam Y.J. Zhang,Methods, Available online 27 July 2014, ISSN 1046-2023, http://dx.doi.org/10.1016/j.ymeth.2014.07.007.

Several virtual screening studies are discussed to demonstrate the successful application of hierarchical virtual screening in small molecule drug discovery. Scaffold searches identified a series of compounds able to disrupt frataxin/ubiquitin PPI, resulted in the identification of one compound that prevented frataxin ubiquitination and degradation.