Structure-based virtual screening for the identification of RNA-binding ligands

Abstract

Structure-based virtual screening exploits the 3D structure of the target as a template for the discovery of new ligands. It is a key method for hit discovery and was originally developed for protein targets. Recently, this method has also been applied to RNA targets. This chapter gives an overview of this method and its application in the context of ligand discovery for RNA. In addition, it describes in detail how to conduct virtual screening for RNA targets, making use of software that is free for noncommercial use. Some advice on how to avoid common pitfalls in virtual screening is also given. © Springer Science+Business Media New York 2014.