Design of tRNA(Lys)3 ligands: fragment evolution and linker selection guided by NMR spectroscopy

Chemistry. 2009 Jul 20;15(29):7109-16. doi: 10.1002/chem.200802451.

Abstract

A fragment-based approach for the synthesis of ligands of tRNA(Lys) (3), the HIV reverse-transcription primer, is described. The use of NMR spectroscopy has proved to be very useful in this approach, not only to detect low-affinity complexes between small compounds and RNA, but also to provide information on their binding mode and on the way they can be connected. This NMR-spectroscopy-guided analysis enabled us to design micromolar ligands after the optimisation and connection of millimolar fragments with an appropriate linker. The influence of the linker region on the binding affinity and selectivity outlines the importance of having a flexible assemblage strategy with a variety of linkers in such an approach.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Base Sequence
  • Binding Sites
  • Drug Design
  • Ligands
  • Magnetic Resonance Spectroscopy / methods*
  • Molecular Sequence Data
  • Molecular Structure
  • Peptide Fragments / chemistry*
  • RNA, Transfer / chemical synthesis*
  • RNA, Transfer / chemistry
  • RNA, Transfer, Amino Acyl / chemical synthesis*
  • RNA, Transfer, Amino Acyl / chemistry

Substances

  • Ligands
  • Peptide Fragments
  • RNA, Transfer, Amino Acyl
  • RNA, Transfer