The molecular dynamics of non-covalent and covalent interactions between chemical sensitisers and proteins
Department of Chemistry
Limit of tenure: 3 years.
Skin sensitisation can be due to a variety of factors. One of these is the stimulation of an immune response due to the reaction of small organic molecules (from skin creams etc.) with proteins in the skin which results in haptenisation of the protein and subsequent recognition of the protein as foreign. The process can be studied in a model system by measuring the reaction of peptides with small reactive organic molecules. This offers the opportunity to obtain data from peptide systems that can be extended to proteins. The project would examine the reactivity and accessibility of peptides and extrapolate this to simulations of reactive groups on proteins using a combination of molecular dynamics and simulation of reaction chemistry by quantum mechanics. The objective would be to gain a deeper understanding of the
role of protein structure and dynamics on the reactivity of succeptible sequences and to extrapolate this to the immune response and skin sensitivity.
Applicants should have (or be about to receive) an honours degree (at least II.1 or equivalent) in chemistry, biochemistry or other relevant discipline, and must have some experience of molecular modelling.
The studentship is available from October 2008. Applications should include a CV, and contact details for two professional referees, and should be sent to Professor Robert Glen, Department of Chemistry, Lensfield Road, Cambridge CB2 1EW (email: smb28@cam.ac.uk).
Quote Reference: MA03321, Closing Date: 21 May 2008
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