Details of Grant 

EPSRC Reference:	GR/R71580/01
Title:	A quantitative investigation into the role of interfacial water in molecular recognition
Principal Investigator:	Hunter, Professor CA
Other Investigators:	Haq, Dr I
Researcher Co-Investigators:
Project Partners:
Department:	Chemistry
Organisation:	University of Sheffield
Scheme:	Standard Research (Pre-FEC)
Starts:	01 November 2002	Ends:	31 October 2005	Value (£):	178,305
EPSRC Research Topic Classifications:	Biological & Medicinal Chem. Chemical Biology Chemical Structure
EPSRC Industrial Sector Classifications:	No relevance to Underpinning Sectors
Related Grants:
Panel History:
Summary on Grant Application Form
Hydration plays a key role in binding affinity and specificity of protein-DNA interactions. Water is also an important component of DNA structure. However the exact role of water in ligand-biomolecule interactions is poorly understood. In order to rationally design novel sequence and structure specific drugs it is essential to clarify how water molecules participate in ligand-DNA/protein interactions. DNA and proteins are large molecules where water (and ions) bind in complicated and specific ways, therefore thermodynamic and structural characterisation of the role played by solvent in molecular recognition of biomolecules is a non-trivial task. This research proposal aims to address these very important issues using model systems where the complexity of the target molecules as well as the number of solvent molecules involved can be precisely modulated. Macrocyclic receptors and complementary ligands are ideal model systems because: they can be designed to possess a specific number of water binding sites, large quantities of substrate and ligand can be synthesised thus allowing interrogation by a range of biophysical and structural methods and binding experiments can be carried out in aqueous and organic solvent systems. This novel approach allows us to mimic the binding of ligands to solvated binding sites on biomolecules and allows the precise thermodynamic role of water in binding reactions to be investigated.
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Organisation Website:	http://www.shef.ac.uk