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Co-Crystal Formation Based on Structural Matching

Dodd, Stephanie, Sethuraman, Vijay, Panicucci, Riccardo, Garad, Sudhakar, Zhou, Liping and Capacci-Daniel, Christina (2016) Co-Crystal Formation Based on Structural Matching. European Journal of Pharmaceutical Sciences. ISSN 09280987


A co-crystal is defined as a single crystalline structure composed of two or more components with no proton transfer which are solid at room temperature. Our group has come up with the following rationale selection of co-formers for initial co-crystal screening: 1) selection of co-formers with the highest potential for hydrogen bonding with the API and 2) selection of co-formers with diversity of secondary structural characteristics. We demonstate the feasiblity of this technique with a Novartis drug candidate A. In the first tier, 20 co-formers were screened and two hits identified.
By examining the two co-formers, which worked from the first round, a second round of screening was undertaken with more focused chemical matter.
Ninteen co-crystal formers closely related to the two hits in the first screen were screened in the second tier. From this screen five hits were identified. All the hits were compared for their physical and chemical stability and dissolution profile. Based on the comparison 4-aminobenzoic co-crytal was chosen for in-vivo comparison with the free form. The co-crystal had 12 fold higher exposure than the free form thus overcoming the solubility limited exposure of the initial compound.

Item Type: Article
Keywords: co-crytal, Form, exposure, salt, solubility, dissolution, 4-amino benzoic acid
Date Deposited: 26 Apr 2016 23:45
Last Modified: 26 Apr 2016 23:45


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