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In silico (computed) modelling of doses and dosing regimens associated with morphine levels above international legal driving limits (2018)
Journal Article
Boland, J. W., Johnson, M., Ferreira, D., & Berry, D. J. (2018). In silico (computed) modelling of doses and dosing regimens associated with morphine levels above international legal driving limits. Palliative Medicine, 32(7), 1222-1232. https://doi.org/10.1177/0269216318773956

Background: Morphine can cause central nervous system side effects which impair driving skills. The legal blood morphine concentration limit for driving is 20 µg/L in France/Poland/Netherlands and 80 µg/L in England/Wales. There is no guidance as to... Read More about In silico (computed) modelling of doses and dosing regimens associated with morphine levels above international legal driving limits.

Rationalized Computer-Aided design of Matrix Metalloprotease-Selective Prodrugs (2017)
Journal Article
Jain, M., Harburn, J., Gill, J., Loadman, P., Falconer, R., Mooney, C., …Berry, D. (2017). Rationalized Computer-Aided design of Matrix Metalloprotease-Selective Prodrugs. Journal of Medicinal Chemistry, 60(10), 4496-4502. https://doi.org/10.1021/acs.jmedchem.6b01472

Matrix metalloproteinases (MMPs) are central to cancer development and metastasis. They are highly active in the tumour environment and absent or inactive in normal tissues; therefore they represent viable targets for cancer drug discovery. In this s... Read More about Rationalized Computer-Aided design of Matrix Metalloprotease-Selective Prodrugs.

Hydration Behavior of Polylactam Clathrate Hydrate Inhibitors and Their Small-Molecule Model Compounds (2017)
Journal Article
Perrin, A., Goodwin, M. J., Musa, O. M., Berry, D. J., Corner, P., Edkins, K., …Steed, J. W. (2017). Hydration Behavior of Polylactam Clathrate Hydrate Inhibitors and Their Small-Molecule Model Compounds. Crystal Growth and Design, 17(6), 3236-3249. https://doi.org/10.1021/acs.cgd.7b00221

The solution hydration behavior of a series of lactam-based kinetic clathrate hydrate inhibitors (KHIs) has been studied in order to determine mechanistic insight into their KHI performance. IR and 1H NMR spectroscopic titration data were compared ac... Read More about Hydration Behavior of Polylactam Clathrate Hydrate Inhibitors and Their Small-Molecule Model Compounds.

Pharmaceutical cocrystals, salts and multicomponent systems; intermolecular interactions and property based design (2017)
Journal Article
Berry, D. J., & Steed, J. W. (2017). Pharmaceutical cocrystals, salts and multicomponent systems; intermolecular interactions and property based design. Advanced Drug Delivery Reviews, 117, 3-24. https://doi.org/10.1016/j.addr.2017.03.003

As small molecule drugs become harder to develop and less cost effective for patient use, efficient strategies for their property improvement become increasingly important to global health initiatives. Improvements in the physical properties of Activ... Read More about Pharmaceutical cocrystals, salts and multicomponent systems; intermolecular interactions and property based design.

Stabilisation of an amorphous form of ROY through a predicted co-former interaction (2016)
Journal Article
Corner, P. A., Harburn, J. J., Steed, J. W., McCabe, J. F., & Berry, D. J. (2016). Stabilisation of an amorphous form of ROY through a predicted co-former interaction. Chemical Communications, 52(39), 6537-6540. https://doi.org/10.1039/c6cc02949c

The highly polymorphic compound ROY, notorious for the colour of its crystals, was the subject of an optimised high-throughput ultrasound-based co-crystal screen. This screen involved a computational pre-screen which highlighted an interaction betwee... Read More about Stabilisation of an amorphous form of ROY through a predicted co-former interaction.

Tuning the spontaneous formation kinetics of caffeine : malonic acid co-crystals (2016)
Journal Article
Nartowski, K., Khimyaka, Y., & Berry, D. (2016). Tuning the spontaneous formation kinetics of caffeine : malonic acid co-crystals. CrystEngComm, 18(15), 2617-2620. https://doi.org/10.1039/c6ce00353b

It has previously been reported that the caffeine : malonic acid co-crystal system forms spontaneously upon the contact of the two materials. Here we studied the crystal growth in this system to rationally define the role that water plays, thus enabl... Read More about Tuning the spontaneous formation kinetics of caffeine : malonic acid co-crystals.

Pharmaceutical co-crystals – are we there yet? (2014)
Journal Article
Blagden, N., Coles, S., & Berry, D. (2014). Pharmaceutical co-crystals – are we there yet?. CrystEngComm, 16(26), 5753-5761. https://doi.org/10.1039/c4ce00127c

In the pharmaceutical arena it is agreed that co-crystals form a vital part of the solid-state toolbox, allowing the progression of novel compounds through the development pathway to patients and improving properties in older medicines. Sadly though,... Read More about Pharmaceutical co-crystals – are we there yet?.

AstraZeneca AB (2014)
Patent
Barlaam, B., Delouvrie, B., Ouvry, G., Der Brempt, C., Harris, C., Berry, D., …Reid, G. (2014). AstraZeneca AB

The invention concerns compounds of Formula (I) or pharmaceutically-acceptable salts thereof, wherein R1 and R2 have any of the meanings defined hereinbefore in the description; processes for their preparation, pharmaceutical compositions containing... Read More about AstraZeneca AB.

Achieving improved permeability by hydrogen bond donor modulation in a series of MGAT2 inhibitors (2013)
Journal Article
Scott, J., Berry, D., Brown, H., Buckett, L., Clarke, D., Goldberg, K., …Robb, G. (2013). Achieving improved permeability by hydrogen bond donor modulation in a series of MGAT2 inhibitors. MedChemComm, 4(9), 1305-1311. https://doi.org/10.1039/c3md00156c

Monoacylglycerolacetyltransferase-2 (MGAT2) is a potential target for the treatment of type II diabetes. We report here the optimisation of a series of MGAT2 inhibitors with regard to their potency and permeability. Improvements in permeability, as m... Read More about Achieving improved permeability by hydrogen bond donor modulation in a series of MGAT2 inhibitors.

Current directions in co-crystal growth (2008)
Journal Article
Blagden, N., Berry, D., Parkin, A., Javed, H., Ibrahim, A., Gavan, P., …Seaton, C. (2008). Current directions in co-crystal growth. New Journal of Chemistry, 32(10), 1659-1672. https://doi.org/10.1039/b803866j

In this feature article we will focus on the issues relating to the crystal growth of co-crystals, with a particular emphasis on drug development. The initial focus of this perspective is on the relevant literature examples that may be able to inform... Read More about Current directions in co-crystal growth.

Applying hot-stage microscopy to co-crystal screening: a study of nicotinamide with seven active pharmaceutical ingredients (2008)
Journal Article
Berry, D., Seaton, C., Clegg, W., Harrington, R., Coles, S., Horton, P., …Blagden, N. (2008). Applying hot-stage microscopy to co-crystal screening: a study of nicotinamide with seven active pharmaceutical ingredients. Crystal Growth and Design, 8(5), 1697-1712. https://doi.org/10.1021/cg800035w

Co-crystal screening is routinely undertaken using high-throughput solution growth. We report a low- to medium-throughput approach, encompassing both a melt and solution crystallization step as a route to the identification of co-crystals. Prior to s... Read More about Applying hot-stage microscopy to co-crystal screening: a study of nicotinamide with seven active pharmaceutical ingredients.