PhD Studentship in Chemistry - “Drugging the Undruggable” - Developing Computational Methods Suitable for Using Intrinsically Disordered Proteins (IDPs) as Medicinal Chemistry Targets

Postgraduate Opportunities

Newcastle University

Undruggable” - Developing Computational Methods Suitable for Using Intrinsically Disordered Proteins (IDPs) as Medicinal Chemistry Targets
Reference code: CY025
Closing date: 1 July 2016
Supervisors: Dr Agnieszka Bronowska, School of Chemistry
Sponsor: School of Chemistry
Duration of the award: Starting 26 September 2016 for 3 years
Person Specification
The successful candidate will have an excellent first degree in computational chemistry, theoretical physics, pharmaceutical chemistry, physical chemistry or a related subject. They will demonstrate skills in computational chemistry, such as molecular docking calculations and molecular dynamics simulations.
Good programming skills are essential. Experience with molecular dynamics force field development is desirable, but not essential. Previous experience with the computational chemistry software development is a strong advantage.
Project Description
Intrinsically disordered proteins (IDPs) are key contributors to many chronic and incurable conditions, such as Parkinson’s and Alzheimer’s Diseases, which makes them attractive candidates for therapeutic intervention by small drug-like molecules. The properties of IDPs cannot be described by a single structure and must be represented as an ensemble of conformations. The dynamic conformational ensemble of IDPs is highly dependent on the environment and binding partners, which makes IDPs notoriously challenging to study both experimentally and computationally. A lack of well-defined tertiary structure makes IDPs unsuitable for standard rational drug design approaches, and development of a method suitable for ligand-IDP calculations is highly needed.
This studentship seeks to develop a novel and robust computational approach that may render IDPs druggable, which can be used for molecular docking programs focused on IDPs. It would involve rational design of misfolding and aggregation inhibitors as potential drugs for neurodegenerative diseases. The project would provide a strong training in the fields of computational chemistry software development, molecular simulations and drug design. As such, the studentship would provide an ideal experience for a future career in both academia and the pharmaceutical industry.

Funding information

Value:

100% tuition fees at the UK/EU rate and an annual stipend (£14,057).

Funding applies to:

Open to applicants from a range of countries

Contacts and how to apply

Academic contact:

For further details, please email Dr Agnieszka K Bronowska: agnieszka.bronowska@ncl.ac.uk

Administrative contact and how to apply:

The candidate must apply through the University’s online postgraduate application form. Only mandatory fields need to be completed however, you will need to include the following information:
- insert the programme code 8100F in the programme of study section
- select ‘PhD School of Chemistry (full time) - Chemistry ’ as the programme of study
- insert the studentship code CY025 in the studentship/partnership reference field
- No personal statement is required but please attach a covering letter, CV and (if English is not your first language) a copy of your English language qualifications. The covering letter must state the title and code of the studentship, and state how your interests and experience relate to the project.

Application deadline:

1 July 2016