Comparative Study of Different Methods for the Prediction of Drug-Polymer Solubility

Research output: Contribution to journal › Journal article › Research › peer-review

Standard

Comparative Study of Different Methods for the Prediction of Drug-Polymer Solubility. / Knopp, Matthias Manne; Tajber, Lidia; Tian, Yiwei; Olesen, Niels Erik; Jones, David S; Kozyra, Agnieszka; Löbmann, Korbinian; Paluch, Krzysztof; Brennan, Claire Marie; Holm, René; Healy, Anne Marie; Andrews, Gavin P; Rades, Thomas.

In: Molecular Pharmaceutics, Vol. 12, No. 9, 08.09.2015, p. 3408-19.

Research output: Contribution to journal › Journal article › Research › peer-review

Harvard

Knopp, MM, Tajber, L, Tian, Y, Olesen, NE, Jones, DS, Kozyra, A, Löbmann, K, Paluch, K, Brennan, CM, Holm, R, Healy, AM, Andrews, GP & Rades, T 2015, 'Comparative Study of Different Methods for the Prediction of Drug-Polymer Solubility', Molecular Pharmaceutics, vol. 12, no. 9, pp. 3408-19. https://doi.org/10.1021/acs.molpharmaceut.5b00423

APA

Knopp, M. M., Tajber, L., Tian, Y., Olesen, N. E., Jones, D. S., Kozyra, A., Löbmann, K., Paluch, K., Brennan, C. M., Holm, R., Healy, A. M., Andrews, G. P., & Rades, T. (2015). Comparative Study of Different Methods for the Prediction of Drug-Polymer Solubility. Molecular Pharmaceutics, 12(9), 3408-19. https://doi.org/10.1021/acs.molpharmaceut.5b00423

Vancouver

Knopp MM, Tajber L, Tian Y, Olesen NE, Jones DS, Kozyra A et al. Comparative Study of Different Methods for the Prediction of Drug-Polymer Solubility. Molecular Pharmaceutics. 2015 Sep 8;12(9):3408-19. https://doi.org/10.1021/acs.molpharmaceut.5b00423

Author

Knopp, Matthias Manne ; Tajber, Lidia ; Tian, Yiwei ; Olesen, Niels Erik ; Jones, David S ; Kozyra, Agnieszka ; Löbmann, Korbinian ; Paluch, Krzysztof ; Brennan, Claire Marie ; Holm, René ; Healy, Anne Marie ; Andrews, Gavin P ; Rades, Thomas. / Comparative Study of Different Methods for the Prediction of Drug-Polymer Solubility. In: Molecular Pharmaceutics. 2015 ; Vol. 12, No. 9. pp. 3408-19.

Bibtex

@article{3e0b4c8dd5264c2ab8e0284abd7f2952,
title = "Comparative Study of Different Methods for the Prediction of Drug-Polymer Solubility",
abstract = "In this study, a comparison of different methods to predict drug-polymer solubility was carried out on binary systems consisting of five model drugs (paracetamol, chloramphenicol, celecoxib, indomethacin, and felodipine) and polyvinylpyrrolidone/vinyl acetate copolymers (PVP/VA) of different monomer weight ratios. The drug-polymer solubility at 25 °C was predicted using the Flory-Huggins model, from data obtained at elevated temperature using thermal analysis methods based on the recrystallization of a supersaturated amorphous solid dispersion and two variations of the melting point depression method. These predictions were compared with the solubility in the low molecular weight liquid analogues of the PVP/VA copolymer (N-vinylpyrrolidone and vinyl acetate). The predicted solubilities at 25 °C varied considerably depending on the method used. However, the three thermal analysis methods ranked the predicted solubilities in the same order, except for the felodipine-PVP system. Furthermore, the magnitude of the predicted solubilities from the recrystallization method and melting point depression method correlated well with the estimates based on the solubility in the liquid analogues, which suggests that this method can be used as an initial screening tool if a liquid analogue is available. The learnings of this important comparative study provided general guidance for the selection of the most suitable method(s) for the screening of drug-polymer solubility.",
author = "Knopp, {Matthias Manne} and Lidia Tajber and Yiwei Tian and Olesen, {Niels Erik} and Jones, {David S} and Agnieszka Kozyra and Korbinian L{\"o}bmann and Krzysztof Paluch and Brennan, {Claire Marie} and Ren{\'e} Holm and Healy, {Anne Marie} and Andrews, {Gavin P} and Thomas Rades",
year = "2015",
month = sep,
day = "8",
doi = "10.1021/acs.molpharmaceut.5b00423",
language = "English",
volume = "12",
pages = "3408--19",
journal = "Molecular Pharmaceutics",
issn = "1543-8384",
publisher = "American Chemical Society",
number = "9",

}

RIS

TY - JOUR

T1 - Comparative Study of Different Methods for the Prediction of Drug-Polymer Solubility

AU - Knopp, Matthias Manne

AU - Tajber, Lidia

AU - Tian, Yiwei

AU - Olesen, Niels Erik

AU - Jones, David S

AU - Kozyra, Agnieszka

AU - Löbmann, Korbinian

AU - Paluch, Krzysztof

AU - Brennan, Claire Marie

AU - Holm, René

AU - Healy, Anne Marie

AU - Andrews, Gavin P

AU - Rades, Thomas

PY - 2015/9/8

Y1 - 2015/9/8

N2 - In this study, a comparison of different methods to predict drug-polymer solubility was carried out on binary systems consisting of five model drugs (paracetamol, chloramphenicol, celecoxib, indomethacin, and felodipine) and polyvinylpyrrolidone/vinyl acetate copolymers (PVP/VA) of different monomer weight ratios. The drug-polymer solubility at 25 °C was predicted using the Flory-Huggins model, from data obtained at elevated temperature using thermal analysis methods based on the recrystallization of a supersaturated amorphous solid dispersion and two variations of the melting point depression method. These predictions were compared with the solubility in the low molecular weight liquid analogues of the PVP/VA copolymer (N-vinylpyrrolidone and vinyl acetate). The predicted solubilities at 25 °C varied considerably depending on the method used. However, the three thermal analysis methods ranked the predicted solubilities in the same order, except for the felodipine-PVP system. Furthermore, the magnitude of the predicted solubilities from the recrystallization method and melting point depression method correlated well with the estimates based on the solubility in the liquid analogues, which suggests that this method can be used as an initial screening tool if a liquid analogue is available. The learnings of this important comparative study provided general guidance for the selection of the most suitable method(s) for the screening of drug-polymer solubility.

AB - In this study, a comparison of different methods to predict drug-polymer solubility was carried out on binary systems consisting of five model drugs (paracetamol, chloramphenicol, celecoxib, indomethacin, and felodipine) and polyvinylpyrrolidone/vinyl acetate copolymers (PVP/VA) of different monomer weight ratios. The drug-polymer solubility at 25 °C was predicted using the Flory-Huggins model, from data obtained at elevated temperature using thermal analysis methods based on the recrystallization of a supersaturated amorphous solid dispersion and two variations of the melting point depression method. These predictions were compared with the solubility in the low molecular weight liquid analogues of the PVP/VA copolymer (N-vinylpyrrolidone and vinyl acetate). The predicted solubilities at 25 °C varied considerably depending on the method used. However, the three thermal analysis methods ranked the predicted solubilities in the same order, except for the felodipine-PVP system. Furthermore, the magnitude of the predicted solubilities from the recrystallization method and melting point depression method correlated well with the estimates based on the solubility in the liquid analogues, which suggests that this method can be used as an initial screening tool if a liquid analogue is available. The learnings of this important comparative study provided general guidance for the selection of the most suitable method(s) for the screening of drug-polymer solubility.

U2 - 10.1021/acs.molpharmaceut.5b00423

DO - 10.1021/acs.molpharmaceut.5b00423

M3 - Journal article

C2 - 26214347

VL - 12

SP - 3408

EP - 3419

JO - Molecular Pharmaceutics

JF - Molecular Pharmaceutics

SN - 1543-8384

IS - 9

ER -

ID: 161623168