Derisking the Polymorph Landscape: The Complex Polymorphism of Mexiletine Hydrochloride (2021)
Journal Article
Andrews, J. L., Nilsson Lill, S. O., Freitag-Pohl, S., Apperley, D. C., Yufit, D. S., Batsanov, A. S., …Steed, J. W. (2021). Derisking the Polymorph Landscape: The Complex Polymorphism of Mexiletine Hydrochloride. Crystal Growth and Design, 21(12), 7150-7167. https://doi.org/10.1021/acs.cgd.1c01009

This work presents an updated solid form discovery approach to the polymorphism of the anti-arrhythmic drug mexiletine hydrochloride, in which experimental and computational techniques are combined to provide a rigorous characterisation of the solid-... Read More about Derisking the Polymorph Landscape: The Complex Polymorphism of Mexiletine Hydrochloride.

Drug Mimetic Organogelators for the Control of Concomitant Crystallization of Barbital and Thalidomide (2020)
Journal Article
Saikia, B., Mulvee, M. T., Torres-Moya, I., Sarma, B., & Steed, J. W. (2020). Drug Mimetic Organogelators for the Control of Concomitant Crystallization of Barbital and Thalidomide. Crystal Growth and Design, 20(12), 7989-7996. https://doi.org/10.1021/acs.cgd.0c01240

A strategic approach to control the polymorphism of two related drugs by introducing a drug-mimetic imide functional group into the molecular weight organogelator structure is presented. This was achieved with novel aminoglutethimide-derived bis(urea... Read More about Drug Mimetic Organogelators for the Control of Concomitant Crystallization of Barbital and Thalidomide.

Minimizing polymorphic risk through cooperative computational and experimental exploration (2020)
Journal Article
Taylor, C. R., Mulvee, M. T., Perenyi, D. S., Probert, M. R., Day, G. M., & Steed, J. W. (2020). Minimizing polymorphic risk through cooperative computational and experimental exploration. Journal of the American Chemical Society, 142(39), 16668-16680. https://doi.org/10.1021/jacs.0c06749

We combine state-of-the-art computational crystal structure prediction (CSP) techniques with a wide range of experi-mental crystallization methods to understand and explore crystal structure in pharmaceuticals and minimize the risk of unanticipated l... Read More about Minimizing polymorphic risk through cooperative computational and experimental exploration.