Directed Co-Crystallisation of Pharmaceuticals: developing a predictive method for co-crystallisation

In this project, we propose to use a combination of computational and experimental techniques to develop a predictive method for co-crystallisation. Many modern pharmaceuticals suffer from low solubility and other undesirable physical properties. A promising approach to address these issues is to co-crystallise the biologically active compound with an excipient (an approved additive). This is a very hot topic in pharmaceutical research and of great interest to the pharmaceutical industry; many academic and industrial research groups are active in this area.

Despite considerable effort, there is currently no validated approach to predict from first principles which excipient gives the most stable co-crystal when crystallised with a particular pharmaceutical. However, a recent pilot study (Chan, Kendrick, Neumann & Leusen, CrystEngComm, 15: 3799 – 3807 (2013)) has shown that a state-of-the-art crystal structure prediction method, which has been developed and validated by Avantgarde Materials Simulation in collaboration with our team at the University of Bradford, can be utilised to predict whether a given co-crystal will form. The method also predicts the relative stability of potential cocrystals. We aim to build on the success of the pilot study by predicting from first principles which excipients would be the most suitable co-formers for a selection of simple pharmaceuticals (e.g., aspirin, paracetamol, ibuprofen) and then verifying the predictions through standard crystallisation experiments. There is an opportunity to commercialise the method.

How to apply

Formal applications can be submitted via the University of Bradford web site. Applicants should register an account, select ‘Full-time PhD in Chemistry & Forensic Sciences’ as the course, and include the project title on the Research Proposal section.

Informal enquiries are also welcome.

About the University of Bradford

Bradford is a research-active University supporting the highest-quality research. We excel in applying our research to benefit our stakeholders by working with employers and organisations world-wide across the private, public, voluntary and community sectors and actively encourage and support our postgraduate researchers to engage in research and business development activities.

Faculty of Life Sciences

The faculty comprises a mixture of academic divisions, research centres and outreach facilities. We provide high-quality teaching with a professional focus and engage in cutting-edge research – which we seek to apply through our extensive links with industry and business. We also offer a wide range of postgraduate taught and research courses.

Many of our academics are active researchers and international research experts.

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• Computational and Data-driven Science
• Interface of Chemistry Biology and Materials
• Health, Society, People and Place
• The Life Course

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• Centre for Pharmaceutical Engineering Science
• Digital Health Enterprise Zone
• Institute of Cancer Therapeutics
• Wolfson Centre for Applied Research

University investment in research support services, equipment and infrastructure provides an excellent research environment and broad portfolio of developmental opportunities. 

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At the University of Bradford our vision is a world of inclusion and equality of opportunity, where people want to, and can, make a difference. We place equality and diversity, inclusion, and a commitment to social mobility at the centre of our mission and ethos. In working to make a difference we are committed to addressing systemic inequality and disadvantages experienced by Black, Asian and Minority Ethnic staff and students.

Under sections 158-159 of the Equality Act 2010, positive action can be taken where protected group members are under-represented. At Bradford, our data show that people from Black, Asian, and Minority Ethnic groups who are UK nationals are significantly under-represented at the postgraduate researcher level. 

These are lawful measures designed to address systemic and structural issues which result in the under-representation of Black, Asian, and Minority Ethnic students in PGR studies.