Mechanism based drug descovery. (360G-Wellcome-102361_Z_13_Z)

£160,623

The interactions of small molecules and proteins are highly dependent on their shape complementarity and electronics. Exploration of the shapes of protein binding sites through in silico analysis and relation of these to the shapes of exemplified ligand space could enable us to tune the shapes of the molecules in screening libraries to specific drug discovery targets. This analysis could also allow us to identify protein binding site shapes for which hit molecules are scarce and by giving attention to this, could be used to generate hits for targets that are considered 'undruggable'. Initially, conformational analysis of the bound shapes of endogenous ligands will be conducted in order to learn from nature's balance between protein binding site space and ligand space.

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Grant Details

Amount Awarded 160623
Applicant Surname Meyers
Approval Committee PhD Studentships
Award Date 2013-06-24T00:00:00+00:00
Financial Year 2012/13
Grant Programme: Title PhD Studentship (Basic & Clinical)
Internal ID 102361/Z/13/Z
Lead Applicant Mr Joshua Meyers
Partnership Value 160623
Planned Dates: End Date 2017-09-30T00:00:00+00:00
Planned Dates: Start Date 2013-10-01T00:00:00+00:00
Recipient Org: Country United Kingdom
Region Greater London
Sponsor(s) Prof Paul Workman