Synthonic Engineering: Molecular Scale Tools for the Rational Design of High Quality Crystals for Pharmaceutical Formulation*

Feb19Wed

Synthonic Engineering: Molecular Scale Tools for the Rational Design of High Quality Crystals for Pharmaceutical Formulation*

Wed, 19/02/2014 - 16:00 to 17:00

Location:

Speaker: 
Prof Kevin J Roberts
Affiliation: 
Leeds University, Institute of Particle Science and Engineering and
Synopsis: 

Over the years our underpinning knowledge and practical capability have advanced enormously in terms of our ability to synthesize molecules through the making and breaking of co-valent bonds. However, our ability to apply the same generic principles to the directed assembly of materials through the making and breaking of inter-molecular interactions (synthons) through understanding, directing and controlling their constituent van der Waals and hydrogen bonds is much less developed. The latter forms part of research activity stimulated though the EPSRC’s grand challenges in this area. See: http://www.dial-a-molecule.org/wp/ and http://beyondthemolecule.org.uk/d6/
The talk will draw upon the above perspective and set this within the pharmaceutical and fine chemical industry’s quality by design (QbD) agenda, i.e. to shorten lead times, cut costs, improve profitability and protect IP through know-how (and not just patents).

These concepts will be highlighted through description of recent research in the Synthonic Engineering area which have been aimed at the optimisation of the interface between the processing of active ingredients and their formulation into products. Case studies to be presented (depending on time constraints) include:
• Impurity segregation via re-crystallisation;
• Solvent mediated crystal habit modification;
• Polymorphic selectivity through supersaturation control of cluster size;
• Prediction of the crystallisabilty of a compound;
• Modelling inter-crystal interactions and agglomeration;
• Predicting solubility enhancement through habit control and size reduction;
• In-silico iGC for surface energy prediction of particles;
• Predicting API/Excipient compatibility and their cohesivity/adhesivity balance;
• Modelling the mechanical properties of API solid forms.
Finally, the talk will highlight the potential advantages of developing a 6 sigma culture for the European pharmaceutical and fine chemical sector in terms of securing its future viability and competitiveness, i.e. one focused on quality and not just cost.

*The Synthonic Engineering Initiative has been supported by the EPSRC, Pfizer, Syngenta, Boehringer-Ingelheim and Novartis through collaboration with the Cambridge Crystallographic Database (CCDC).

Institute: