Development of a binding affinity calculator for g protein-coupled reception drug discovery programmes

GPCRs comprise the single largest class of proteins against which therapeutic compounds in clinical use have been developed, however, these drugs only target ~50 of the 800 GPCRs in the human genome. Expansion of the range of GPCR targets available for the generation of effective therapeutics would provide an enhanced, patient-specific, approach to the treatment of cardiovascular, neurological, endocrine and many other disorders.

We propose to develop an ‘affinity calculator’ for the rationalization of receptor-ligand binding and the determination of association and dissociation rates. This computational resource will be automated and able to be used in an industrial scale to identify the best candidates for new drugs for a given receptor.

ELIGIBILITY AND APPLICATION

This four-year studentship is funded jointly by the BBSRC London Interdisciplinary PhD Programme and Evotec (UK) Ltd. It covers UK/EU tuition fees and an annual tax-free stipend in the region of £16,057 (exact amount confirmed each year).

Applications will be considered from individuals with a background in the physical sciences (mathematics, physics, computer science) or in a relevant life science discipline. The equivalent of a first or upper second-class degree is essential. A masters-level qualification would be highly desirable, as would basic molecular biology skills, experience of computer programming (e.g. C, C++, Python, R, F#, or Matlab) and a demonstrable interest in computational chemistry and drug-receptor interactions.

For more information regarding the project, please contact Dr Andrea Townsend-Nicholson - [Email Address Removed]
For more information about the programme, eligibility or the application process please contact the programme administrator - [Email Address Removed]