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Structure-Based Discovery of Small Molecules Binding to RNA

  • Thomas Wehler
  • Ruth BrenkEmail author
Chapter
Part of the Topics in Medicinal Chemistry book series (TMC, volume 27)

Abstract

Ribonucleic acids (RNAs) constitute attractive drug targets. The wealth of structural information about RNAs is steadily increasing making it possible to use this information for the design of new ligands. Two methods that make heavy use of structural knowledge for ligand discovery are molecular docking and fragment screening. In molecular docking the structure of the binding site is used as a template for the design of new ligands using computational methods whereas in fragment screening biophysical methods are used for the detection of weak binding ligands which are subsequently elaborated into tighter binding molecules. In this chapter, we give an overview of both methods in the context of ligand discovery for RNA targets and illustrate their applications for hit discovery.

Keywords

Docking Fragment screening RNA Structure-based design 

Notes

Acknowledgements

We are grateful for internal university research funding from the Johannes Gutenberg University Mainz.

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Copyright information

© Springer International Publishing AG 2017

Authors and Affiliations

  1. 1.Johannes Gutenberg University Mainz, Institute for Pharmacy and BiochemistryMainzGermany
  2. 2.Department of BiomedicineUniversity of BergenBergenNorway

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