The role of co-crystals in pharmaceutical design

Steed, Jonathan W.

doi:10.1016/j.tips.2012.12.003

Cited by 297 publications

(218 citation statements)

References 65 publications

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“…This covers, among other domains, the pharmaceutical [3,4], agrochemical [5,6] or high-energy industries [6][7][8]. Not all multicomponent solids are classified as cocrystals [9] since at least two criterions must be met [9][10][11][12][13].…”

Section: Introductionmentioning

confidence: 99%

Transferability of cocrystallization propensities between aromatic and heteroaromatic amides

Cysewski

2016

Struct Chem

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New virtual cocrystal screening was proposed taking advantage of the similarities between cocrystallization landscapes of different compounds. Assuming that cocrystallization propensities can be modeled by miscibility affinities of liquid components under supercooled conditions, the quantitative rules of likeness were formulated and validated for 45 aromatic and heteroaromatic amides interacting with a variety of coformers. The most important finding comes from the observed linear trends between the values of mixing enthalpies of amides with respect to a reference molecule. Particularly isonicotinamide was found as a very convenient comparative system since it constitutes 97 binary cocrystals. Many experimentally observed cocrystals were used for supporting the analogy hypothesis, which states that a properly selected reference molecule, for which cocrystals were experimentally documented, can provide practical information about cocrystallization propensities of another compound provided that two criterions are met, namely sufficiently high similarities and high enough affinities. Hence, it is not necessary to perform experimental cocrystallization of every pair of coformers since miscibility in the solid state of one compound can be transferred to another one at least in the case of aromatic or heteroaromatic amides.

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Section: Introductionmentioning

confidence: 99%

Transferability of cocrystallization propensities between aromatic and heteroaromatic amides

Cysewski

2016

Struct Chem

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“…18 The definition of what constitutes a cocrystal is under frequent scrutiny. [18][19][20] Generally, a cocrystal is a crystal containing two or more components.…”

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confidence: 99%

Expanding the Pyridine–Formic Acid Cocrystal Landscape under Extreme Conditions

Lee

Firbank

Probert

et al. 2016

Crystal Growth & Design

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“…The non API component used as coformer should be non-toxic with no adverse side effects. Ideally, the cocrystal former should be included on the US FDA "Everything added to food in the United States" (EAFUS) list, which comprises over 3000 substances that are suitable as food additives, or approved as Generally Regarded as Safe (GRAS) [61] . Coformer selection for an API is the most important aspect for designing and screening of cocrystals.…”

Section: Selection Of Coformers and Screening Of Cocrystalsmentioning

confidence: 99%

“…Thermal stability, compatibility and purity of cocrystals can be predicted by TGA analysis. The weight loss of sample mass during the TGA analysis is the indication of loss of volatile component or decomposition of cocrystal [61,108] .…”

Section: Evaluation Of Cocrystalsmentioning

confidence: 99%