Author(s): Haupt VJ, Schroeder M
Abstract Share this page
Abstract Developing a drug de novo is a laborious and costly endeavor. Thus, the repositioning of already approved drugs for the treatment of new diseases is promising and valuable. One computational approach to repositioning exploits the structural similarity of binding sites of known and new targets. Here, we review computational methods to represent and align binding sites. We review available tools, present success stories and discuss limits of the approach.
This article was published in Brief Bioinform
and referenced in Journal of Bioequivalence & Bioavailability