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Award details
Active site pressurization - a new tool for protein structure analysis and structure-based drug design
Reference
B18197
Principal Investigator / Supervisor
Professor Charles Laughton
Co-Investigators /
Co-Supervisors
Institution
University of Nottingham
Department
Sch of Pharmacy
Funding type
Research
Value (£)
81,556
Status
Completed
Type
Research Grant
Start date
17/03/2003
End date
17/03/2005
Duration
24 months
Abstract
We propose to develop a new molecular modelling tool for the analysis of protein structural flexibility and ligand docking. It addresses one of the major limitations of current methodologies, namely that they are unable to take account of protein flexibility (induced fitting) other than in a very limited way. Active Site Pressurisation (ASP) will enable the intrinsic flexibility of proteins ligand recognition sites to be probed in an efficient and unbiased way. This will reveal opportunities for the design of high-affinity ligands with structures relatively remote from those that would be considered for analysis solely of the experimental structural data, and thus provide a valuable tool to the pharmaceutical industry for lead hopping.
Summary
unavailable
Committee
Closed Committee - Biomolecular Sciences (BMS)
Research Topics
X – not assigned to a current Research Topic
Research Priority
X – Research Priority information not available
Research Initiative
X - not in an Initiative
Funding Scheme
X – not Funded via a specific Funding Scheme
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